4-Cyano-3-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 swallowed95.5% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H318 Causes serious eye damage90.9% of notifiers
- H335 May cause respiratory irritation95.5% of notifiers
Aggregated from 44 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
176508-81-9SMILES
N#Cc1ccc(C(=O)O)cc1FInChIKey
ZWKNDLMYSLLMRF-UHFFFAOYSA-NInChI
InChI=1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoic acid, 4-cyano-3-fluoro-
Work with 4-Cyano-3-fluorobenzoic acid
Similar compounds
3,4-Difluorobenzoic acid455-86-762 % similar
Methyl 4-cyano-3-fluorobenzoate268734-34-559 % similar
3-Fluoro-4-hydroxybenzoic acid350-29-857 % similar
4-Cyano-3-nitrobenzoic acid153775-42-956 % similar
4-Bromo-3-fluorobenzoic acid153556-42-455 % similar
3-Fluoro-p-toluic acid350-28-755 % similar
4-Chloro-3-fluorobenzoic acid403-17-855 % similar
4-Amino-3-fluorobenzoic acid455-87-855 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.