2,4-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
32890-87-2SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OInChIKey
JTOIZLCQNWWDCN-UHFFFAOYSA-NInChI
InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4-Bis(trifluoromethyl)benzoic acid
Similar compounds
4-(Trifluoromethyl)phthalic acid835-58-575 % similar
2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-869 % similar
4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-869 % similar
4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-169 % similar
2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-569 % similar
4-(Trifluoromethyl)anthranilic acid402-13-169 % similar
4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-067 % similar
4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds