Benzenedicarboxylic acid, dichloro-

HCID 39047

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Basic information

CAS: 116802-97-2
Standard SMILES: O=C(O)c1cc(Cl)c(C(=O)O)c(Cl)c1
InChIKey: LJUJMEBEACINIP-UHFFFAOYSA-N
Molecular formula: C8H4Cl2O4
Average molar mass: 235.02 g/mol
Monoisotopic mass: 233.948664

Names & identifiers

Preferred name: Benzenedicarboxylic acid, dichloro-
IUPAC: 2,6-dichloroterephthalic acid
English name: 2,6-Dichloroterephthalic acid
Molecular formula: C8H4Cl2O4
Molecular weight: 235.02

Names & synonyms

41906-38-1Dichlorobenzenedicarboxylic acidBenzenedicarboxylic acid, dichloro-RefChem:324563DTXCID00117167DTXSID601946762,6-dichloroterephthalic acid116802-97-21,4-Benzenedicarboxylic acid, 2,6-dichloro-2,6-DICHLOROBENZENE-1,4-DICARBOXYLIC ACIDMFCD009958672,6-dichlorobenzene-1,4-dioic acid

Show more names

2,6-dichloroparabenzenedimacetic acid

1,4-Benzenedicarboxylic acid, 2,6-dichloro-; 2,6-Dichloro-1,4-benzenedicarboxylic acid; 2,6-Dichloroterephthalic acid2,6-DichloroterephthalicacidSCHEMBL543454LJUJMEBEACINIP-UHFFFAOYSA-NDTXSID5010232602,6-dichloro-4-carboxybenzoic acidAKOS005061303AS-65705

Database identifiers

CAS: 116802-97-2、41906-38-1
PubChem CID: 39047
DTXSID: DTXSID501023260
Nikkaji: J153.088G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 244

Physicochemical properties

Melting point: 290 · 290-293°C
storage temp.: Refrigerator, under inert atmosphere
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338