3-Chloro-2-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 102 °C
- 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 irritation97.9% of notifiers
Aggregated from 47 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
7499-08-3SMILES
Cc1c(Cl)cccc1C(=O)OInChIKey
HXGHMCLCSPQMOR-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(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
4 names
- Benzoic acid, 3-chloro-2-methyl-
- o-Toluic acid, 3-chloro-
- 2-Methyl-3-chlorobenzoic acid
- NSC 407522
Work with 3-Chloro-2-methylbenzoic acid
Similar compounds
Tolfenamic acid13710-19-568 % similar
2-Chlorobenzoic acid118-91-267 % similar
2,3-Dimethylbenzoic acid603-79-266 % similar
3-Amino-2-methylbenzoic acid52130-17-364 % similar
3-Hydroxy-2-methylbenzoic acid603-80-564 % similar
3-Bromo-2-methylbenzoic acid76006-33-264 % similar
2,3-Dichlorobenzoic acid50-45-363 % similar
3-Fluoro-2-methylbenzoic acid699-90-162 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.