4,5-Dichlorophthalic acid

C8H4Cl2O4CAS 56962-08-4235.02 g/mol

Open in Covalent MOL file
OHOClClOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H4Cl2O4
Molar mass
235.02 g/mol
Exact mass
233.9487 Da
Melting point
200 °C
logP
2.39Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56962-08-4
SMILES
O=C(O)c1cc(Cl)c(Cl)cc1C(=O)O
InChIKey
FDOQKGWUMUEJLX-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1,2-Benzenedicarboxylic acid, 4,5-dichloro-
  • 4,5-Dichloro-1,2-benzenedicarboxylic acid
  • 4,5-Dichloro-2-carboxybenzoic acid

Work with 4,5-Dichlorophthalic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4,5-dichlorobenzoic acid20776-61-873 % similar 2,3,4,5-Tetrachlorobenzoic acid50-74-867 % similar Pyromellitic acid89-05-467 % similar 2-Chlorobenzoic acid118-91-265 % similar 3-Chlorosalicylic acid1829-32-964 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-162 % similar 3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-462 % similar 2,3-Dichlorobenzoic acid50-45-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-1

Elsewhere

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