2-Chloro-6-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 108 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed81.2% of notifiers
- H315 Causes skin irritation18.8% of notifiers
- H318 Causes serious eye damage81.2% of notifiers
- H319 Causes serious eye irritation18.8% of notifiers
- H335 May cause respiratory irritation14.6% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21327-86-6SMILES
Cc1cccc(Cl)c1C(=O)OInChIKey
CEFMMQYDPGCYMG-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 2-chloro-6-methyl-
- o-Toluic acid, 6-chloro-
Work with 2-Chloro-6-methylbenzoic acid
Similar compounds
2,6-Dimethylbenzoic acid632-46-275 % similar
2,6-Dichlorobenzoic acid50-30-671 % similar
2-Bromo-6-methylbenzoic acid90259-31-764 % similar
6-Methylanthranilic acid4389-50-862 % similar
2-Fluoro-6-methylbenzoic acid90259-27-162 % similar
6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-761 % similar
2-Chloro-6-hydroxybenzoic acid56961-31-061 % similar
2-Bromo-6-chlorobenzoic acid93224-85-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.