3,5-Difluorobenzoic acid
Properties
- Molecular formula
- C7H4F2O2
- Molar mass
- 158.10 g/mol
- Exact mass
- 158.0179 Da
- Melting point
- 122 °C
- logP
- 1.66Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
455-40-3SMILES
O=C(O)c1cc(F)cc(F)c1InChIKey
GONAVIHGXFBTOZ-UHFFFAOYSA-NInChI
InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 3,5-difluoro-
- NSC 403726
Work with 3,5-Difluorobenzoic acid
Similar compounds
3-Bromo-5-fluorobenzoic acid176548-70-274 % similar
3-Chloro-5-fluorobenzoic acid25026-64-671 % similar
3-Fluoro-5-methylbenzoic acid518070-19-471 % similar
3-Amino-5-fluorobenzoic acid786616-54-471 % similar
3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-567 % similar
3-Fluorobenzoic acid455-38-967 % similar
Trimesic acid554-95-064 % similar
5-Fluoronicotinic acid402-66-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.