3-Chloro-4-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 196 °C
- Boiling point
- 105–107 °C (at 6.5 Torr)
- logP
- 2.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
5162-82-3SMILES
Cc1ccc(C(=O)O)cc1ClInChIKey
SDKUOEOJAXGCLU-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(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-chloro-4-methyl-
- p-Toluic acid, 3-chloro-
- 3-Chloro-p-toluic acid
Work with 3-Chloro-4-methylbenzoic acid
Similar compounds
4-Chloro-3-methylbenzoic acid7697-29-275 % similar
3,4-Dichlorobenzoic acid51-44-568 % similar
3,4-Dimethylbenzoic acid619-04-568 % similar
3-Chloro-4-hydroxybenzoic acid3964-58-762 % similar
3-Hydroxy-4-methylbenzoic acid586-30-162 % similar
3-Iodo-4-methylbenzoic acid82998-57-062 % similar
3,5-Dichloro-4-methylbenzoic acid39652-34-161 % similar
3-Amino-4-methylbenzoic acid2458-12-060 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.