4-Chloro-2-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 166–167 °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 swallowed88.6% of notifiers
- H315 Causes skin irritation11.4% of notifiers
- H318 Causes serious eye damage88.6% of notifiers
- H319 Causes serious eye irritation11.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
7499-07-2SMILES
Cc1cc(Cl)ccc1C(=O)OInChIKey
XXFKOBGFMUIWDH-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(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
4 names
- Benzoic acid, 4-chloro-2-methyl-
- o-Toluic acid, 4-chloro-
- 4-Chloro-o-toluic acid
- NSC 407521
Work with 4-Chloro-2-methylbenzoic acid
Similar compounds
5-Chloro-2-methylbenzoic acid7499-06-175 % similar
4-Chlorophthalic acid89-20-368 % similar
4-Chloro-2-iodobenzoic acid13421-13-165 % similar
2,4-Dichlorobenzoic acid50-84-064 % similar
2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar
2,4-Dimethylbenzoic acid611-01-864 % similar
4-Chlorosalicylic acid5106-98-962 % similar
4-Hydroxy-2-methylbenzoic acid578-39-262 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.