3,4-Difluorobenzoic acid
Properties
- Molecular formula
- C7H4F2O2
- Molar mass
- 158.10 g/mol
- Exact mass
- 158.0179 Da
- Melting point
- 123 °C
- logP
- 1.66Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed83.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.9% of notifiers
Aggregated from 49 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
455-86-7SMILES
O=C(O)c1ccc(F)c(F)c1InChIKey
FPENCTDAQQQKNY-UHFFFAOYSA-NInChI
InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/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, 3,4-difluoro-
- NSC 190686
Work with 3,4-Difluorobenzoic acid
Similar compounds
3-Fluoro-4-hydroxybenzoic acid350-29-870 % similar
4-Fluoro-3-hydroxybenzoic acid51446-31-270 % similar
3-Bromo-4-fluorobenzoic acid1007-16-568 % similar
4-Bromo-3-fluorobenzoic acid153556-42-468 % similar
3-Amino-4-fluorobenzoic acid2365-85-768 % similar
3-Fluoro-p-toluic acid350-28-768 % similar
4-Fluoro-3-methylbenzoic acid403-15-668 % similar
3-Chloro-4-fluorobenzoic acid403-16-768 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.