2,3,6-Trifluorobenzoic acid
Properties
- Molecular formula
- C7H3F3O2
- Molar mass
- 176.09 g/mol
- Exact mass
- 176.0085 Da
- Melting point
- 130.5 °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 irritation97.9% of notifiers
Aggregated from 47 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
2358-29-4SMILES
O=C(O)c1c(F)ccc(F)c1FInChIKey
MGUPHQGQNHDGNK-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)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
2 names
- Benzoic acid, 2,3,6-trifluoro-
- 2,5,6-Trifluorobenzoic acid
Work with 2,3,6-Trifluorobenzoic acid
Similar compounds
3,6-Difluorophthalic acid651-97-876 % similar
3-Amino-2,6-difluorobenzoic acid83141-11-173 % similar
3-Chloro-2,6-difluorobenzoic acid225104-76-771 % similar
3-Bromo-2,6-difluorobenzoic acid28314-81-071 % similar
2,3,5,6-Tetrafluorobenzoic acid652-18-668 % similar
2,6-Difluorobenzoic acid385-00-264 % similar
2-Chloro-3,6-difluorobenzoic acid287172-74-161 % similar
2,6-Difluoro-3-nitrobenzoic acid83141-10-061 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.