2,4,6-Trifluorobenzoic acid
Properties
- Molecular formula
- C7H3F3O2
- Molar mass
- 176.09 g/mol
- Exact mass
- 176.0085 Da
- Melting point
- 143 °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 irritation98% of notifiers
Aggregated from 51 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
28314-80-9SMILES
O=C(O)c1c(F)cc(F)cc1FInChIKey
SJZATRRXUILGHH-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/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, 2,4,6-trifluoro-
Work with 2,4,6-Trifluorobenzoic acid
Similar compounds
2-Amino-4,6-difluorobenzoic acid126674-77-973 % similar
3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid31381-91-673 % similar
2,6-Difluoro-4-hydroxybenzoic acid214917-68-768 % similar
4-Bromo-2,6-difluorobenzoic acid183065-68-166 % similar
2,6-Difluorobenzoic acid385-00-261 % similar
2,6-Difluoro-4-methoxybenzoic acid123843-65-259 % similar
3,6-Difluorophthalic acid651-97-859 % similar
2,3,5,6-Tetrafluorobenzoic acid652-18-659 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.