Compound: TEREPHTHALIC ACID
SMILES: O=C(O)c1ccc(C(=O)O)cc1
InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
Synonyms: TEREPHTHALIC ACID, 100-21-0, p-Phthalic acid, 1,4-Benzenedicarboxylic acid, benzene-1,4-dicarboxylic acid, p-Dicarboxybenzene, 1,4-dicarboxybenzene, p-Benzenedicarboxylic acid, p-Carboxybenzoic acid, Acide terephtalique, Tephthol, para-Phthalic acid, 4-Carboxybenzoic Acid, TA-33MP, Kyselina tereftalova, WR 16262, NSC 36973, TA 12, 6S7NKZ40BQ, DTXSID6026080, NSC-36973, DTXCID006080, CHEBI:15702, hydron;terephthalate, 4-oxoniocarbonylbenzoate, P-PTHALIC ACID, RefChem:6289, 202-830-0, 685-562-0, p-Phthalate, Kyselina terftalova, MFCD00002558, Benzene-p-dicarboxylic acid, HSDB 834, terephthalicacid, Acide terephtalique [French], Kyselina tereftalova [Czech], CAS-100-21-0, CCRIS 2786, EINECS 202-830-0, UNII-6S7NKZ40BQ, BRN 1909333, terephtalic acid, AI3-16108, P-Phthelate, P-Phthelic acid, UB7, p-Benzenedicarboxylate, terephthals&#xe4;ure, Benzene-p-dicarboxylate, benzene-1,4-dioic acid, WLN: QVR DVQ, Terephthalic acid, 97%, Terephthalic acid, 98%, benzoic acid, 4-carboxy-, EC 202-830-0, SCHEMBL1655, para-benzenedicarboxylic acid, Benzene, p-dicarboxylic acid, Terephthalic acid (Standard), Tranexamic Acid Impurity 18, 4-09-00-03301 (Beilstein Handbook Reference), BIDD:ER0245, TEREPHTHALIC ACID [MI], orb1299281, orb3025041, SCHEMBL2780243, SCHEMBL8418372, SCHEMBL8873876, CHEMBL1374420, TEREPHTHALIC ACID [HSDB], Benzene, 1,4-Dicarboxylic acid, HMS5085O12, HY-W010098R, NSC36973, STR02759, Tox21_201659, Tox21_303229, EBC-03308, s6251, SBB060285, STL281856, Terephthalic acid, analytical standard, AKOS000119464, MSK26006-100M, CS-W010814, FT28042, HY-W010098, NCGC00091618-01, NCGC00091618-02, NCGC00091618-03, NCGC00257014-01, NCGC00259208-01, AC-10250, BP-21157, NS00003928, ST50824887, EN300-18042, C06337, G73905, Terephthalic acid, SAJ special grade, >=98.0%, AE-562/40217759, F358209, Q408984, Terephthalic acid Solution in Methanol, 100ug/mL, Terephthalic acid, Vetec(TM) reagent grade, 98%, Z57127536, 211863-90-0
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: Needles
color: Needles
boiling_point: greater than 572 °F at 760 mmHg (sublimes without melting) (NTP, 1992)
melting_point: Sublimes (NTP, 1992)
density: 1.51 (NTP, 1992) - Denser than water; will sink
solubility: Insoluble (NTP, 1992)
flash_point: 260 °C
vapor_pressure: 0.0000092 [mmHg]
Descriptions:
pubchem: Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-).
chebi: A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.
chembl: TEREPHTHALIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Terephthalic acid is an organic compound with the chemical structure C6H4(CO2H)2 and chemical formula C8H6O4. 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 tons are produced annually. The common name is derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid.
Terephthalic acid is also used in the production of PBT plastic (polybutylene terephthalate).