2,4,5-Trifluorobenzoic acid
Properties
- Molecular formula
- C7H3F3O2
- Molar mass
- 176.09 g/mol
- Exact mass
- 176.0085 Da
- Melting point
- 100 °C
- logP
- 1.80Crippen 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 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
446-17-3SMILES
O=C(O)c1cc(F)c(F)cc1FInChIKey
AKAMNXFLKYKFOJ-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoic acid, 2,4,5-trifluoro-
Work with 2,4,5-Trifluorobenzoic acid
Similar compounds
4,5-Difluorophthalic acid18959-31-483 % similar
2,5-Difluoro-4-methylbenzoic acid103877-80-169 % similar
5-Chloro-2,4-difluorobenzoic acid130025-33-169 % similar
4-Chloro-2,5-difluorobenzoic acid132794-07-169 % similar
4-Bromo-2,5-difluorobenzoic acid28314-82-169 % similar
5-Bromo-2,4-difluorobenzoic acid28314-83-269 % similar
2,4-Difluoro-5-methylbenzoic acid367954-99-269 % similar
4,5-Difluoro-2-iodobenzoic acid130137-05-268 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.