3-Chloro-5-(trifluoromethyl)benzeneacetic acid
Properties
- Molecular formula
- C9H6ClF3O2
- Molar mass
- 238.59 g/mol
- Exact mass
- 238.0008 Da
- logP
- 2.99Crippen 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 irritation100% of notifiers
Aggregated from 5 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
886496-99-7SMILES
O=C(O)Cc1cc(Cl)cc(C(F)(F)F)c1InChIKey
VEEZRFPBIRDYOE-UHFFFAOYSA-NInChI
InChI=1S/C9H6ClF3O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzeneacetic acid, 3-chloro-5-(trifluoromethyl)-
- 2-[3-Chloro-5-(trifluoromethyl)phenyl]acetic acid
- 3-Chloro-5-(trifluoromethyl)phenylacetic acid
Work with 3-Chloro-5-(trifluoromethyl)benzeneacetic acid
Similar compounds
3,5-Bis(trifluoromethyl)phenylacetic acid85068-33-376 % similar
3,5-Dichlorobenzeneacetic acid51719-65-468 % similar
3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-167 % similar
[3-(Trifluoromethyl)phenyl]acetic acid351-35-964 % similar
2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-162 % similar
2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid132992-36-060 % similar
4-(Trifluoromethyl)benzeneacetic acid32857-62-858 % similar
(3-Chlorophenyl)acetic acid1878-65-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.