Compound: phthalic acid
SMILES: O=C(O)c1c(C(=O)O)cccc1
InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N
Synonyms: phthalic acid, 88-99-3, 1,2-benzenedicarboxylic acid, o-phthalic acid, benzene-1,2-dicarboxylic acid, o-dicarboxybenzene, o-benzenedicarboxylic acid, Acide phtalique, Kyselina ftalova, ortho-phthalic acid, 6O7F7IX66E, DTXSID8021484, NSC-5348, DTXCID901484, CHEBI:29069, hydron;phthalate, RefChem:6136, 201-873-2, Pathalic acid, Orthophthalic acid, MFCD00002467, NSC 5348, Sunftal 20, PhthalicAcid-13C2, LEADPHTHALATE,DIBASIC, CHEMBL1045, 254110-94-6, Phthalic-13C Acid, PHTHALICACID, Copper(ii)phthalate, Phthalic Acid-13C2, Benzene-1,2-dicarboxylic Acid (Phthalic Acid), Acide phtalique [French], Kyselina ftalova [Czech], M 2, CCRIS 1446, HSDB 1339, EINECS 201-873-2, BRN 0608199, UNII-6O7F7IX66E, Alizarinate, Naphthalinate, Phthalinate, Alizarinic acid, Phthalinic acid, AI3-02409, Naphthalinic acid, o-Carboxybenzoate, 4kww, folpet TP2, phthals&#xe4;ure, Phthalic acid CRS, Benzene-1,2-dicarboxylic Acid; Phthalic acid; Fluorescein Sodium Imp. B (EP); Fluorescein Imp. B (EP); Fluorescein Sodium Impurity B; Fluorescein Impurity B, o-Carboxybenzoic acid, o-Benzenedicarboxylate, Phthalic acid, ~99%, WLN: QVR BVQ, Phthalic acid (Standard), Phthalate standard for IC, Phthalic acid, 99.5%, benzoic acid, 2-carboxy-, Fluorescein EP Impurity B, bmse000391, EC 201-873-2, PHTHALIC ACID [MI], Picoxystrobin metabolite 15, SCHEMBL1808, PHTHALIC ACID [HSDB], 4-09-00-03167 (Beilstein Handbook Reference), MLS002152931, SCHEMBL160051, SCHEMBL490677, SCHEMBL596041, orb1301653, orb3025198, SCHEMBL4652941, SCHEMBL9158798, PHTHALIC ACID [USP-RS], SCHEMBL29364035, HY-I0508R, NSC5348, HMS3039E17, HMS3604J03, HMS5085I10, Phthalic acid, analytical standard, EKA11094, HY-I0508, STR06656, VCA83883, Phthalic acid, reagent grade, 98%, Tox21_200915, BDBM50080272, EBC-44208, MSK000852, PHTHALIC ACID [USP IMPURITY], s6215, SBB058481, STL168879, AKOS000118898, DB02746, FP27023, MSK000852-100A, CAS-88-99-3, MSK000852-1000A, NCGC00090869-01, NCGC00090869-02, NCGC00258469-01, Phthalic acid, ACS reagent, >=99.5%, AC-14464, BP-21159, DA-48993, DA-76837, SMR001224528, CS-0009407, FLUORESCEIN IMPURITY B [EP IMPURITY], NS00008610, P0287, Phthalic acid, SAJ first grade, >=99.0%, ST50192167, EN300-17992, Phthalic acid, SAJ special grade, >=99.0%, C01606, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, puriss. p.a., >=99.5% (T), AB-131/40237186, F242646, Pathalic acid Solution in Acetonitrile, 100ug/mL, Q423876, FLUORESCEIN SODIUM IMPURITY B [EP IMPURITY], Pathalic acid Solution in Acetonitrile, 1000ug/mL, Z57127456, F3110-2832, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12
Theoretical properties:
molecular_formula: C8H6O4
molecular_weight: 166.13 g/mol
exact_mass: 166.02660867 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless crystals
color: Colorless crystals
boiling_point: Decomposes (NTP, 1992)
melting_point: 410 to 412 °F (decomposes) (NTP, 1992)
density: 1.593 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 334 °F (NTP, 1992)
vapor_pressure: 0.00000064 [mmHg]
Descriptions:
pubchem: Phthalic acid is a benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a phthalate(1-).
chebi: A benzenedicarboxylic acid cosisting of two carboxy groups at <em>ortho</em> positions.
chembl: PHTHALIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: In organic chemistry, phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2 and structure HO(O)C−C6H4−C(O)OH. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid.