4-Cyano-2-fluorobenzoic acid
Properties
- Molecular formula
- C8H4FNO2
- Molar mass
- 165.12 g/mol
- Exact mass
- 165.0226 Da
- logP
- 1.40Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed95.7% of notifiers
- H315 Causes skin irritation12.8% of notifiers
- H318 Causes serious eye damage87.2% of notifiers
- H319 Causes serious eye irritation12.8% of notifiers
- H335 May cause respiratory irritation10.6% of notifiers
Aggregated from 47 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
164149-28-4SMILES
N#Cc1ccc(C(=O)O)c(F)c1InChIKey
KEJMSTJTAWACNI-UHFFFAOYSA-NInChI
InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 4-cyano-2-fluoro-
- 2-Fluoro-4-cyanobenzoic acid
- 4-Carboxy-3-fluorobenzonitrile
Work with 4-Cyano-2-fluorobenzoic acid
Similar compounds
2-Chloro-4-cyanobenzoic acid117738-77-963 % similar
2-Fluoro-4-hydroxybenzoic acid65145-13-361 % similar
2,4-Difluorobenzoic acid1583-58-058 % similar
4-Bromo-2-fluorobenzoic acid112704-79-755 % similar
2-Fluoro-4-iodobenzoic acid124700-40-955 % similar
4-Chloro-2-fluorobenzoic acid446-30-055 % similar
4-Amino-2-fluorobenzoic acid446-31-155 % similar
2-Fluoro-4-methylbenzoic acid7697-23-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.