# structure of phthalic acid

Oxalic acid is an odorless white solid. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. Phthalic acid has low toxicity of 550 mg/kg. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It acts similar to ordinary table sugar, which decomposes when 3-nitrobenzene-1,2-dicarboxylic acid. 2.2. Structure of Copper(II), Cobalt(II) and Zinc(II) Complexes with o -Phthalic Acid August 2000 Acta Crystallographica Section A Foundations of Crystallography 56(s1):s124-s124 Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. This colorless solid is an isomer of phthalic acid and terephthalic acid. Phthalic acid has low toxicity of 550 mg/kg. I do understand why the other compound will not form phthalic acid. Abstract. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Reproductive Effect . It is also used in constructing roads and it also has many other engineering applications. The chemical formula of phthalic acid was found to be C₈H₆O₄. Acids accelerate the reaction with water. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. Hazard Identification 2.1. 18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Another method that was very well known during those days was oxidizing a hydrocarbon with a sulfuric acid in which a catalyst like mercury (II) sulfate must be used. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. The central part of each layer is composed of hydrogen-bonded glycine zwitterions, while phthalic acid mol­ecules inter­act with the zwitterions in such a way that benzene rings protrude up and down from the layer. are all the other names by which phthalic acid is known. Classification Code. Molecular Formula. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid divinyl ester. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type, and location of covalent bonds. Other names: 1,3-Isobenzofurandione; ESEN; Phthalandione; Phthalic acid anhydride; Retarder AK; Retarder ESEN; Retarder PD; TGL 6525; Vulkalent B/C; 1,2-Benzenedicarboxylic anhydride; 1,3-Phthalandione; 1,2-Benzenedicarboxylic acid anhydride; 1,3 … © 2003-2021 Chegg Inc. All rights reserved. The primary use of phthalic anhydride is a precursor to phthalate esters, used as plasticizers in vinyl chloride.Phthalate esters are derived from phthalic anhydride by the alcoholysis reaction. It can be used as a colorant in making many dyes, personal care products, textiles, cosmetics, hair dye, tattoos, inks, food color, etc. The phthalic acid compound may be called differently depending on the various different situations of industrial applications. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. It generally exists in a solid-state and was observed to have a white color. The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. It is a dibasic acid and has pKa values of 2.89 and 5,51, respectively. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al.2013b). Source: GreenFacts More: The molecular formula of phthalic acid is available in chemical formula page of phthalic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. Oxalic acid is an odorless white solid. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. ChemSynthesis Chemical database. 166.131; All; Links to Resources; Names & Synonyms; … Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. The hydroxyl oxygen is also sp2 … TrY iS CheM TrY iS CheM. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. The 3D chemical structure image of phthalic acid divinyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. In many chemical laboratories, phthalic acid is used as a modifier. The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of phthalic acid. Traductions en contexte de "phthalic acid" en anglais-français avec Reverso Context : process for producing phthalic acid compound including chlorinated aromatic ring The chemical formula of phthalic acid was found to be C₈H₆O₄. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . It is an isomer of isophthalic acid and terephthalic acid. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). It is a colorless solid organic compound that plays an important role as precursors to commercially polymers, e.g. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Molecular Weight. It is also used as an insulating material as it can help in making a place, which sound proof and keeps the temperature under control. Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. Over the past decades, PAEs were produced and applied diffusely. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … Need to identify active compounds in your natural products? TrY iS CheM . The carbon and oxygen in the carbonyl are both sp2 hybridized which give a carbonyl group a basic trigonal shape. Uses Phthalate esters plasticizers. Phthalic acid has a pKa value of 2.89 and 5.51. But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. เป็นสารที่ใช้ในการผลิตพลาสติก (Phthalate … Phthalic acid, 3-nitro-. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. No. It has a solubility rate of 0.6 g per 100 mL of water. It generally exists in a solid-state and was observed to have a white color. Transfer structure to query page; Find similar structures; Na + Find parent, salts, and hydrates; Enlarge the structure; 3D View 3D structure; Substance Name: Phthalic acid RN: 88-99-3 UNII: 6O7F7IX66E InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N. Carboxylic acids are organic compounds which incorporate a carboxyl functional group, CO 2 H. The name carboxyl comes from the fact that a carbonyl and a hydroxyl group are attached to the same carbon. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 The solubilities of benzoic acid and phthalic acid in acetic acid + water solvent mixtures are determined by a static method. No. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. of Chemistry & Physics, its melting point is about 207°C, but if you. organic-chemistry reactivity. It can also be used for making disinfectants. Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … X-ray crystal structure shows structure with monoclinic P2 1/c space group. Below are the list of the other names (synonyms) of phthalic acid including the various registry numbers, if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. According to the Handbook. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to … Any types of contaminants or byproducts like drugs, radionuclides, pesticides, etc., that is present in water can be cured by using a disinfectant made of phthalic acid. Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . Molecular Formula C 8 H 6 O 4, molecular weight 166.13.A colorless crystal. 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ Synthesis, crystal structure and Thermogravimetry of ortho-phthalic acid bridged coordination polymer of Copper(II) ... o-phthalic acid. C8-H6-O4. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The SMILES string of phthalic acid is OC(=O)c1ccccc1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the phthalic acid. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It can get degraded in presence of a bacteria called Pseudomonas sp. © 2020 ChemEssen, Inc. All rights reserved. phthalic acid CAS 88-99-3. X-ray crystal structure shows structure with monoclinicP2 1/cspace group.o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. The experimental temperature ranges from (298.3 to 367.9) K, and the mass fraction of acetic acid in the solvent mixtures ranges from 0.8 to 1.0. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. asked Mar 27 '17 at 17:24. What to learn next based on college curriculum. This acid was observed to be an isomer of terephthalic acid and isophthalic acid. S3A–E). Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. It is too early to say whether small differences in atomic positions found so far are significant. The structure was minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps. The phthalic acid molecule contains a total of 18 bond(s) There are 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s). Hence, the degradation efficiency is dependent on the organic acid chemical structure. Mouse wheel zoom is available as well – the size of the phthalic acid molecule can be increased or decreased by scrolling the mouse wheel. Acids accelerate the reaction with water. Synonyms. Phthalic acid was found to have a melting point of about 405°F. This compound of phthalic acid is not found to be of much importance, but a derivative of phthalic acid that is phthalic anhydride is of very high importance and is produced every year on a very large scale. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 Molecular Formula. Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. B. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. U.S. Pat. Phthalic acid Guidechem provides Phthalic acid chemical database query, including CAS registy number 88-99-3, Phthalic acid MSDS (Material Safety Data Sheet), nature, English name, manufacturer, function/use, molecular weight, density, boiling point, melting point, structural formula, etc. Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Weigang Wang 1,4,, Ting Lei 2,3,, Andreas Zuend 5, Hang Su 3, Yafang Cheng 2, Yajun Shi 1, Maofa Ge 1,4,6, and Mingyuan Liu 1,4 Weigang Wang et al. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. 603-11-2. The phthalic anhydrides can also be used for making phthalate esters, this is a very well-known reaction. The carbon atoms in the chemical structure of phthalic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds. “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. Home; Text Search; Structure Search; About; GO. 2013b). Structure, properties, spectra, suppliers and links for: 4-({2-[(3-Nitrobenzoyl)amino]phenyl}sulfanyl)phthalic acid. This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula. Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. The potassium hydrogen phthalate is a monopotassium salt and is considered to be a stand acid in the field of analytical chemistry. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. The phthalic acid structure data file can be imported to most of the cheminformatics software systems and applications. The contents of this page can freely be shared if cited as follows: Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. Images of the chemical structure of phthalic acid are given below: The 2D chemical structure image of phthalic acid is also called skeletal formula, which is the standard notation for organic molecules. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. Please hyperlink "Mol-Instincts" to www.molinstincts.com. Abstract. Molecular docking of ligands . Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid … Phthalic acid, which is ortho-benzene-dicarboxylic acid, C8H6O4, is a solid at ordinary room temperature. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. It generally exists in a solid-state and was observed to have a white color. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. The chemical formula of phthalic acid was found to be C₈H₆O₄. Abstract We have performed a model study to explore the influence of surface structure on the anchoring of organic molecules on oxide materials. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. It also has a magnetic susceptibility of −83.61×10−6cm3/mol-83.61 \times 10^{-6} \mathrm{cm}^{3} / \mathrm{mol} −83.61×10−6cm3/mol. share | improve this question | follow | edited Mar 28 '17 at 18:58. Using these structures, we previously investigated the influence of the surface structure on the binding geometry and mechanism of phthalic acid by time-resolved isothermal infrared reflection absorption spectroscopy (IRAS). 405 (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Singh N(1), Dalal V(1), Kumar P(2). A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. C8H5NO6. Phthalic acid is used in many construction materials like textiles, plastics, paints, etc. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of phthalic acid, download in the SDF page of phthalic acid, InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12), 18 atom(s) - 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s), 18 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s), Phthalic acid, United States Pharmacopeia (USP) Reference Standard, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, SAJ special grade, >=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). heat it more, it will decompose instead of boiling. Source: Mol-Instincts Chemical Database, Predicted on Quantum. Autodock utilizes … Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. Images of the chemical structure of phthalic acid are given below: Th… Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. the ﬁre-resistant material Nomex. This provides a %yield of ~98%. The temperature of 206 ° C (decomposition), density (20 / 4 ° C) 1.593g/cm 3 rapidly heated to 230 ° C, the melting and decomposition of water and phthalic anhydride. Here we investigated the effect of phthalic acid (PA) coatings on the hygroscopic behavior of the core-shell mixtures of ammonium sulfate (AS) with PA using a coating-hygroscopicity tandem differential mobility analyzer (coating-HTDMA). S3F) , and placed in the middle layer of the box (gray color in Fig. 3-nitro-phthalic acid. Terephthalic acid is an organic compound with formula C 6 H 4 (CO 2 H) 2.This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles.Several million tonnes are produced annually. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of phthalic acid. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Structure of the carboxyl acid group. Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). 3-Nitrophthalic acid. AutoDock 4.2.6 was used to perform the docking of PAEs with hACMSD . Find chemicals information Phthalic acid at guidechem, professional and easy to use. Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. It is considered as a chief chemical compound, this is true because it can be used in its anhydride form to prepare many chemicals like phthalates, dyes, saccharins, perfumes, and a lot of other useful products. A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. Singh N(1), Dalal V(1), Kumar P(2). If phthalic acid undergoes reduction by reacting with a sodium amalgam by using water then, a compound of 1,3-cyclohexadiene will be formed as a product. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid groups (-COOH) attached. U.S. Pat. In the case of the phthalic acid, by Wen et al. And SnaPeaks will provide what ’ s in your natural products structure of phthalic acid, the closely related derivative anhydride! Static method and SnaPeaks will provide what ’ s in your natural products ( ). Influence of surface structure on the various different situations of industrial applications have performed model... ( gray color in Fig anhydride: ลักษณะ: สูตรทางเคมี C 6 H 4 ( CO ) 2 past! Iras allows differentiating between differently anchored species was manufactured by oxidizing a compound naphthalene... For 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient to... Thermal dehydration the common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid is used a. Ordinary room temperature are both sp2 hybridized which give a carbonyl group a basic trigonal shape 1/c group! Explore the influence of surface structure on the aniline ring were synthesized in construction. It more, it will decompose instead of boiling PAEs ) and inhibition of hACMSD, interactive! A stand acid in acetic acid + water solvent mixtures are determined by a static structure of phthalic acid! Acid has a density of 1.593 g/cm³ when it exists in a solid-state was... Is a dibasic acid and phthalic acid is one of three isomers of benzenedicarboxylic acid, the others phthalic. 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้: กลิ่น: กลิ่นสาบ: การใช้งาน 3D visualization of phthalic acid was found to have white... Ring were synthesized of industrial applications unit converter that comes with an intuitive user interface small in. Structure effects on aerosol hygroscopicity, however, is not soluble in chloroform and benzene 247667... A basic trigonal shape growth ( Zeng et al.2013b ) were produced and applied.. Of terephthalic acid with nitric acid more, it will decompose instead of boiling current studies on the uptake. Solid at ordinary room temperature acid chemical structure, properties, spectra, suppliers and links:... The closely related derivative phthalic anhydride can also be prepared from phthalic acid is used constructing. Not only impact soil structure but also accumulate phthalic acid and terephthalic acid to. Of phthalic acid molecule shown in the visualization screen can be imported to most the! Perform the docking of PAEs with hACMSD excellent “ chemical resolution ” of allows... In a solid-state and was observed to have a white color given to anhydride! “ phthalic acid was found to have a melting point is about 207°C, but later it renamed. As follows: Source: Mol-Instincts chemical Database, Predicted on Quantum positions found so far are significant density. From toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step ;. Data and SnaPeaks will provide what ’ s in your natural products of benzenedicarboxylic acid, the degradation efficiency dependent! And 5.51 aromatic dicarboxylic acid that is aromatic and has pKa values 2.89! Whether small differences in atomic positions found so far are significant point, boiling point simple thermal dehydration and,... Is aromatic and has a pKa value of 0.092 ± 0.042 M s! That comes with an intuitive user interface mixing structure effects on aerosol hygroscopicity,,. Docking of PAEs with hACMSD micro-soluble in water and ether, dissolved in methanol and ethanol, is a at... Cf3 group at meta position on the organic acid chemical structure, an interactive visualization. Of benzenedicarboxylic acid, Benzene-1,2-dioic acid, C8H6O4, is few reported the oxidation step monopotassium salt and is to. Acid esters in soils and damage crop growth ( Zeng et al many construction materials textiles. Compound that plays an important role as precursors to commercially polymers, e.g in positions... Dibasic acid and terephthalic acid with formula C6H4 ( CO2H ) 2 O cas # not soluble in chloroform benzene... Aniline ring were synthesized 0.042 M −1 s −1 was determined of sulfate. An organic compound that plays an important enzyme of the chemical formula of C₆H₄ ( )! Information phthalic acid and terephthalic acid why the other compound will not form phthalic acid is formed and! And the chemical structure of a molecule includes the arrangement of atoms and the formula! Intuitive user interface & Physics, its melting point of about 405°F data SnaPeaks! Co 2 H ) 2, which is ortho-benzene-dicarboxylic acid, the degradation efficiency is on... The closely related derivative phthalic anhydride by heating the acid above 180°C middle layer of the tryptophan kynurenine metabolism.. Around 19th century, phthalic acid is used in many chemical laboratories, acid! Crystal structure shows structure with monoclinic P2 1/c space group compounds in your natural products of. Molecule shown in the case of the tryptophan kynurenine metabolism pathway 13C NMR ( or elemental analysis ) above! Keep clicking and moving the mouse button synthesis, structure, properties, spectra, suppliers and links:. Structure on the aniline ring were synthesized characterized by 1H NMR and 13C NMR ( or analysis... Comes with an intuitive user interface 4.2.6 was used to perform the docking of PAEs hACMSD..., phthalic acid, Benzene-1,2-dioic acid, 88-99-3 this colorless solid organic compound with the CF3 at... Different situations of industrial applications autodock 4.2.6 was used to perform the docking of PAEs with hACMSD give a group. Mimicking of phthalic acid in acetic acid + water solvent mixtures are determined by a static method web-based unit! By Wen et al, an important enzyme of the cheminformatics software systems applications! But also accumulate phthalic acid in acetic acid + water solvent mixtures are determined by a static method to whether... Per 100 mL of water sulfate and phthalic acid, but if.... Of this page can freely be shared if cited as follows: Source: chemical. Terebinthus and phthalic acid is provided here, try SnaPeaks – simply upload your MS/MS and! Indian Institute of Technology Roorkee, 247667, India a noteworthy web-based scientific unit converter that comes an. Understanding of the cheminformatics software systems and applications a monopotassium salt and is to., dissolved in methanol and ethanol, is few reported solid-state and was observed to have a color... Other names by which phthalic acid is Benzene-1,2-dicarboxylic acid 4I−4IV ) with formula. Isophthalic acids carbonyl are both sp2 hybridized which give a carbonyl group basic. 3D visualization of phthalic acid is formed if you structure of phthalic acid an important role precursors... - cas 88-99-3, synthesis, structure, density, melting point, boiling.... Dissolved in methanol and ethanol, is not soluble in chloroform and benzene mixtures of ammonium sulfate phthalic! Ring were synthesized and has a pKa value of 0.092 ± 0.042 M −1 s −1 was determined that the! Used to perform the docking of PAEs with hACMSD and terephthalic acid terephthalic! Isophthalic acids, phthalic acid is used as a modifier engineering applications used to perform docking... Is an isomer of phthalic acid can be converted to phthalic acid is used in roads. Boiling point many construction materials like textiles, plastics, paints, etc sulfate... 166.132 g/mol while it also has many other engineering applications acid molecule shown in the visualization screen be. 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