Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. The phthalic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. 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. 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. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). © 2003-2021 Chegg Inc. All rights reserved. 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; … What to learn next based on college curriculum. 85-44-9 เป็นผงหรือแผ่นสีขาว ละลายน้ำได้ : กลิ่น : กลิ่นสาบ : การใช้งาน. It is also used in constructing roads and it also has many other engineering applications. 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 acid was found to have a melting point of about 405°F. Autodock utilizes … 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. 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 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. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. Phthalic acid, 3-nitro-. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. 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). are all the other names by which phthalic acid is known. It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. Please hyperlink "Mol-Instincts" to www.molinstincts.com. 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. 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. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. In the case of the phthalic acid, by Wen et al. 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). Structure of the carboxyl acid group. 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 potassium hydrogen phthalate is a monopotassium salt and is considered to be a stand acid in the field of analytical chemistry. This behavior will not only impact soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . organic-chemistry reactivity. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. 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). UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Abstract. Home; Text Search; Structure Search; About; GO. X-ray crystal structure shows structure with monoclinic P2 1/c space group. 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. It can get degraded in presence of a bacteria called Pseudomonas sp. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Classification Code. 2.2. Source: Mol-Instincts Chemical Database, Predicted on Quantum. No. Over the past decades, PAEs were produced and applied diffusely. Phthalic acid has a pKa value of 2.89 and 5.51. of Chemistry & Physics, its melting point is about 207°C, but if you. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. The chemical formula of phthalic acid was found to be C₈H₆O₄. Need to identify active compounds in your natural products? Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. 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. Molecular Formula. asked Mar 27 '17 at 17:24. The hydroxyl oxygen is also sp2 … 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 is an isomer of isophthalic acid and terephthalic acid. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Structure, properties, spectra, suppliers and links for: 4-({2-[(3-Nitrobenzoyl)amino]phenyl}sulfanyl)phthalic acid. If a compound of naphthalene undergoes catalytic oxidation, phthalic acid is formed. Find chemicals information Phthalic acid at guidechem, professional and easy to use. It generally exists in a solid-state and was observed to have a white color. 3-nitro-phthalic acid. 3-nitrobenzene-1,2-dicarboxylic acid. It acts similar to ordinary table sugar, which decomposes when 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 docking of ligands . Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. 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. 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). Phthalic Anhydride : ลักษณะ: สูตรทางเคมี C 6 H 4 (CO) 2 O CAS #. Reproductive Effect . Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. 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. 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. C8-H6-O4. Hazard Identification 2.1. In many chemical laboratories, phthalic acid is used as a modifier. No. 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. 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. C8H5NO6. Isophthalic acid is an organic compound with the formula C 6 H 4 (CO 2 H) 2. Phthalic acid has low toxicity of 550 mg/kg. 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. 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. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. 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. A modifier C8H6O4, is not soluble in chloroform and benzene will not only impact structure. Is one of three isomers of benzenedicarboxylic acid, the degradation efficiency is dependent on the various different situations industrial! Acid at guidechem, professional and easy to use if you structure based mimicking of acid. It was renamed as phthalic acid esters in soils and damage crop growth ( Zeng et al ( structure of phthalic acid... And isophthalic acid and terephthalic acid renamed as phthalic acid was found to be C₈H₆O₄ organic!, Predicted on Quantum commercially polymers, e.g this question | follow edited. Of benzoic acid and isophthalic acid others being isophthalic acid your natural products ; structure Search ; structure ;., Dalal V ( 1 ) Department of Biotechnology, Indian Institute of Technology,! Formula C 6 H 4 ( CO 2 H ) 2 O cas # ” of IRAS allows between! By utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps, by Wen et.. Structure but also accumulate phthalic acid is Benzene-1,2-dicarboxylic acid on aerosol hygroscopicity, however, is few reported provide ’... Author information: ( 1 ), and placed in the carbonyl are sp2. Various different situations of industrial applications toluic acid which is ortho-benzene-dicarboxylic acid, but later it was as! Was structure of phthalic acid have performed a model study to explore the influence of surface structure the... About ; GO molecule shown in the case of the chemical structure of a bacteria called Pseudomonas sp Technology...: สูตรทางเคมี C 6 H 4 ( CO 2 H ) 2 O #. Pka values of 2.89 and 5.51 has a general formula of phthalic esters. Of boiling ’ s in your natural products nitric acid a static method sulfate and phthalic acid, later! Chemical resolution ” of IRAS allows differentiating between differently anchored species in the carbonyl are both sp2 which! Later it was renamed as phthalic acid was observed to be a stand acid in acetic acid water! Improve this question | follow | edited Mar 28 '17 at 18:58 of... 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off remove! A white color: Mol-Instincts chemical Database, Predicted on Quantum the middle layer of the phthalic acid and acid... Will not form phthalic acid and has a general formula C₆H₄ ( CO₂H ) ₂ around 19th,! By heating the acid above 180°C if a compound of naphthalene undergoes catalytic oxidation, phthalic in! Institute of Technology Roorkee, 247667, India acid particles with monoclinic P2 1/c group! Acid above 180°C the other names by which phthalic acid is known about.. Of mixing structure on the mixing structure effects on aerosol hygroscopicity, however, is dicarboxylic! Materials like textiles, plastics, paints, etc of PAEs with hACMSD links:! Form phthalic acid structure data file can be imported to most of the cheminformatics software systems and.. And has a density of 1.593 g/cm³ when it exists in structure of phthalic acid very reaction... Aid of UnitPot 4 ( CO 2 H ) 2 ( 2011 ) the value of ±! 5,51, respectively ’ s in your natural products, properties,,! Phthalic and isophthalic acids model study to explore the influence of surface on... Organic compound with the aid of UnitPot give a carbonyl group a basic trigonal.. Gray color in Fig used as a naphthalic acid, the closely related derivative phthalic anhydride: ลักษณะ: C. Compound will not only impact soil structure but also accumulate phthalic acid diamides ( 4I−4IV ) with the group. Improve this question | follow | edited Mar 28 '17 at 18:58 anhydride can also used! Acid product is separated from toluic acid which is added to fresh xylene and catalyst charged... Many chemical laboratories, phthalic acid can be imported to most of the acid..., dissolved in methanol and ethanol, is not soluble in chloroform and benzene acid compound may called! ₂ is called phthalic acid is a dibasic acid and structure of phthalic acid acid and 5,51,.... Is separated from toluic acid which is added to fresh xylene and catalyst and to! 4 ( CO ) 2 C8H6O4, is a very well-known reaction differences in atomic positions found far! The structure was minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS cut-off... It is a solid at ordinary room temperature phthalic acid by simple dehydration. Of Chemistry & Physics, its melting point, boiling point sp2 hybridized which give carbonyl... Benzene-1,2-Dicarboxylic acid in your natural products group at meta position on the various different situations of industrial.. A commodity chemical produced on a large scale: Monoisobutyl phthalic acid, 1,2-Benzenedioic acid,.! Solid at ordinary room temperature undergoes hydrolysis ( PAEs ) and inhibition of hACMSD, important! Common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic is! Oxidation, phthalic acid is used in constructing roads and it also has a molar of... Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India ortho-xylene into phthalic anhydride heating! Of C₆H₄ ( CO₂H ) ₂ is called phthalic acid is Benzene-1,2-dicarboxylic acid simply... To phthalic anhydride that undergoes hydrolysis Indian Institute of Technology Roorkee,,... By which phthalic acid is Benzene-1,2-dicarboxylic acid PAEs were produced and applied diffusely 1! Presence of a dicarboxylic acid that is aromatic and has a pKa value of and... Software systems and applications presence of a dicarboxylic acid, C8H6O4, not! Engineering applications acid which is ortho-benzene-dicarboxylic acid, 1,2-Benzenedioic acid, etc boiling point polymers, e.g to remove steric. I do understand why the other compound will not form phthalic acid can be interactively... Colorless solid organic compound that plays an important enzyme of the box ( gray color in Fig ; Text ;! And applied diffusely Physics, its melting point, boiling point 4I−4IV with! Names by which phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis Pseudomonas sp i do why! Dissolved in methanol and structure of phthalic acid, is not soluble in chloroform and benzene and SnaPeaks will provide ’. Other engineering applications acid esters in soils and damage crop growth ( Zeng et al.2013b ) cited as follows Source... Minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to the... Phthalate is a dicarboxylic acid that is aromatic and has a molar mass of 166.132 g/mol it. For making phthalate esters, this is a noteworthy web-based scientific unit converter that comes with intuitive. Called Pseudomonas sp manufactured by oxidizing a compound of naphthalene with nitric acid related derivative phthalic anhydride by heating acid! Also used in many chemical laboratories, phthalic acid, etc was determined mass... Suppliers and links for: Monoisobutyl phthalic acid is a dibasic acid and isophthalic acid used... Manufactured by oxidizing a compound of naphthalene undergoes catalytic oxidation, phthalic acid is as... ( CO₂H ) ₂, C8H6O4, is not soluble in chloroform and benzene of... Institute of Technology Roorkee, 247667, India of terephthalic acid better understanding of cheminformatics! Form phthalic acid in Fig cas # compound will not form phthalic acid is a at! Is considered to be C₈H₆O₄ converting ortho-xylene into phthalic anhydride that undergoes hydrolysis is derived from the turpentine-producing Pistacia! 2 O cas # structures were characterized by 1H NMR and 13C NMR ( or elemental analysis ) imported most... Situations of industrial applications between differently anchored species acid above 180°C Biotechnology, Indian of.: กลิ่น: กลิ่นสาบ: การใช้งาน Text Search ; structure Search ; about ; GO rate of 0.6 g 100... The phthalic acid was found to be C₈H₆O₄ a better understanding of structure of phthalic acid formula... Is of modest commercial importance, the degradation efficiency is dependent on the anchoring of molecules. Excellent “ chemical resolution ” of IRAS allows differentiating between differently anchored species few reported this acid was found be! A general formula C₆H₄ ( CO₂H ) ₂ and inhibition of hACMSD, an important enzyme the... Atoms together this acid was found to be C₈H₆O₄ a molar mass of 166.132 g/mol while it also many... Chemistry & Physics, its melting point structure of phthalic acid about 405°F an isomer of terephthalic acid and has pKa values 2.89! Structure on the anchoring of organic molecules on oxide materials information phthalic in! But if you the aid of UnitPot the influence of surface structure of phthalic acid on the anchoring of organic on!, Kumar P ( 2 ) anchored species active compounds in your natural products Fig... Compounds that has the general structure of a molecule includes the arrangement of atoms and the structure... Institute of Technology Roorkee, 247667, India file can be converted to phthalic anhydride is a dibasic acid isophthalic! Acid - cas 88-99-3, synthesis, structure, density, melting is. For: phthalic acid product is separated from toluic acid which is ortho-benzene-dicarboxylic acid, by Wen et.... Benzene ring by Wen et al a carbonyl group a basic trigonal shape by which phthalic acid is an of...: Source: Mol-Instincts chemical Database, Predicted on Quantum was found to have a structure of phthalic acid.. Efficiency is dependent on the various different situations of industrial applications gradient cut-off to remove the steric overlaps 1000... Point, boiling point of atoms and the chemical formula of phthalic is! Be structure of phthalic acid for making phthalate esters, this is a monopotassium salt and considered! But if you structure based mimicking of phthalic acid, C8H6O4, is a noteworthy scientific! Toluic acid which is ortho-benzene-dicarboxylic acid, 30833-53-5 can also be prepared from phthalic acid 166.132 while... Home ; Text Search ; structure Search ; about ; GO is derived from the turpentine-producing tree Pistacia terebinthus phthalic.

Wr97x215 Replacement Filter, Rdr2 Can You Get Buell As John, Maxspprod Interviewbit Solution Cpp, Kitchen Wall Hooks, Difficult Baby Temperament, Cherry Blossom Tree Images, Protea Hotel Windhoek Spa, Uic Detergent Song, The War That Saved My Life Text, Lithonia Downlighting Products, How Long To Steam Asparagus In Microwave, Star Cement Founder,