2,6-Bis(trifluoromethyl)benzoic acid
Properties
- Molecular formula
- C9H4F6O2
- Molar mass
- 258.12 g/mol
- Exact mass
- 258.0115 Da
- logP
- 3.42Crippen 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 irritation100% 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
24821-22-5SMILES
O=C(O)c1c(C(F)(F)F)cccc1C(F)(F)FInChIKey
XZNLSDPNMNWCRE-UHFFFAOYSA-NInChI
InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 2,6-bis(trifluoromethyl)-
- 2,6-Di(trifluoromethyl)benzoic acid
Work with 2,6-Bis(trifluoromethyl)benzoic acid
Similar compounds
2-Chloro-6-(trifluoromethyl)be2376-00-377 % similar
2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-177 % similar
2-Amino-6-(trifluoromethyl)benzoic acid314-46-575 % similar
2-(Trifluoromethyl)benzoic acid433-97-665 % similar
2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-662 % similar
2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-062 % similar
2-Chloro-3-(trifluoromethyl)benzoic acid39226-97-662 % similar
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid186517-41-961 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.