2,5-Bis(trifluoromethyl)benzoic acid

CAS Registry Number®

42580-42-7

CAS Name

2,5-Bis(trifluoromethyl)benzoic acid

Molecular Formula

C9H4F6O2

Molecular Mass

258.12

Cite this Page

2,5-Bis(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42580-42-7 (retrieved 2024-11-23) (CAS RN: 42580-42-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=PINBPLCVZSKLTF-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C(F)(F)F)C=CC(C(F)(F)F)=C1

Canonical SMILES

O=C(O)C1=CC(=CC=C1C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2,5-bis(trifluoromethyl)-
  • 2,5-Bis(trifluoromethyl)benzoic acid

CAS INSIGHTSTM
Hourglass and a clock