Benzoic acid, 3-(trifluoromethyl)-, methyl ester

CAS Registry Number®

2557-13-3

CAS Name

Benzoic acid, 3-(trifluoromethyl)-, methyl ester

Molecular Formula

C9H7F3O2

Molecular Mass

204.15

Cite this Page

Benzoic acid, 3-(trifluoromethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2557-13-3 (retrieved 2024-11-21) (CAS RN: 2557-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    93.5-94.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3

InChIKey

InChIKey=QQHNNQCWKYFNAC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(trifluoromethyl)-, methyl ester
  • m-Toluic acid, α,α,α-trifluoro-, methyl ester
  • Methyl 3-trifluoromethylbenzoate
  • Methyl m-trifluoromethylbenzoate
  • 3-Trifluoromethylbenzoic acid methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration