3,4-Dichlorobenzoic acid
Properties
- Molecular formula
- C7H4Cl2O2
- Molar mass
- 191.01 g/mol
- Exact mass
- 189.9588 Da
- Melting point
- 350 °C (decomposes)
- logP
- 2.69Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation94% of notifiers
- H319 Causes serious eye irritation94% of notifiers
- H335 May cause respiratory irritation92% of notifiers
Aggregated from 50 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
51-44-5SMILES
O=C(O)c1ccc(Cl)c(Cl)c1InChIKey
VPHHJAOJUJHJKD-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 3,4-dichloro-
- NSC 17583
- NSC 34414
Work with 3,4-Dichlorobenzoic acid
Similar compounds
4-(3,4-Dichlorophenyl)benzoic acid7111-64-073 % similar
4-Chloro-3-hydroxybenzoic acid34113-69-470 % similar
3-Chloro-4-hydroxybenzoic acid3964-58-770 % similar
4-Amino-3-chlorobenzoic acid2486-71-768 % similar
4-Bromo-3-chlorobenzoic acid25118-59-668 % similar
3-Amino-4-chlorobenzoic acid2840-28-068 % similar
3-Chloro-4-fluorobenzoic acid403-16-768 % similar
4-Chloro-3-fluorobenzoic acid403-17-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.