3,5-Bis(trifluoromethyl)phenylacetic acid
Properties
- Molecular formula
- C10H6F6O2
- Molar mass
- 272.15 g/mol
- Exact mass
- 272.0272 Da
- logP
- 3.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
85068-33-3SMILES
O=C(O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1InChIKey
PAWSKKHEEYTXSA-UHFFFAOYSA-NInChI
InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzeneacetic acid, 3,5-bis(trifluoromethyl)-
- 3,5-Bis(trifluoromethyl)benzeneacetic acid
- 2-(3,5-Ditrifluoromethylphenyl)acetic acid
- 2-(3,5-Bis(trifluoromethyl)phenyl)acetic acid
- 2-[3,5-Bis(trifluoromethyl)phenyl]acetic acid
Work with 3,5-Bis(trifluoromethyl)phenylacetic acid
Similar compounds
3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-179 % similar
3-Chloro-5-(trifluoromethyl)benzeneacetic acid886496-99-776 % similar
[3-(Trifluoromethyl)phenyl]acetic acid351-35-971 % similar
4-(Trifluoromethyl)benzeneacetic acid32857-62-869 % similar
2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid132992-36-061 % similar
4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-455 % similar
3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-155 % similar
3,5-Difluorophenylacetic acid105184-38-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.