3-(Chloromethyl)benzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- logP
- 2.12Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed95.1% of notifiers
- H312 Harmful in contact with skin95.1% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
31719-77-4SMILES
C1=CC(=CC(=C1)C(=O)O)CClInChIKey
PBSUMBYSVFTMNG-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(Chloromethyl)benzoic acid
Similar compounds
3-(Hydroxymethyl)-benzoic acid28286-79-567 % similar
3-Aminomethylbenzoic acid2393-20-665 % similar
3-(Bromomethyl)benzoic acid6515-58-865 % similar
Isophthalic acid121-91-562 % similar
3-(Chloromethyl)benzoyl chloride63024-77-162 % similar
3-(Aminomethyl)benzoic acid hydrochloride876-03-959 % similar
3-Chlorobenzoic acid535-80-858 % similar
3-Fluorobenzoic acid455-38-953 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.