5-Chloro-2-(trifluoromethyl)benzoic acid

CAS Registry Number®

654-98-8

CAS Name

5-Chloro-2-(trifluoromethyl)benzoic acid

Molecular Formula

C8H4ClF3O2

Molecular Mass

224.56

Cite this Page

5-Chloro-2-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=654-98-8 (retrieved 2024-11-26) (CAS RN: 654-98-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-85 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4ClF3O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)

InChIKey

InChIKey=FWLFUSUVWNEKRN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-chloro-2-(trifluoromethyl)-
  • o-Toluic acid, 5-chloro-α,α,α-trifluoro-
  • 5-Chloro-2-(trifluoromethyl)benzoic acid
  • 5-Chloro-2-trifluoromethylbenzoic acid
  • 2-Trifluoromethyl-5-chlorobenzoic acid

CAS INSIGHTSTM
Hourglass and a clock