2,5-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 48 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
42580-42-7SMILES
O=C(O)c1cc(C(F)(F)F)ccc1C(F)(F)FInChIKey
PINBPLCVZSKLTF-UHFFFAOYSA-NInChI
InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)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
1 names
- Benzoic acid, 2,5-bis(trifluoromethyl)-
Work with 2,5-Bis(trifluoromethyl)benzoic acid
Similar compounds
4-(Trifluoromethyl)phthalic acid835-58-575 % similar
2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-769 % similar
5-Fluoro-2-(trifluoromethyl)benzoic acid654-99-969 % similar
2-Hydroxy-5-trifluoromethyl benzoic acid79427-88-669 % similar
2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-567 % similar
2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-367 % similar
5-Bromo-2-trifluoromethylbenzoic acid654-97-767 % similar
5-Chloro-2-(trifluoromethyl)benzoic acid654-98-867 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.