2,3,6-Trifluorobenzoic acid

CAS Registry Number®

2358-29-4

CAS Name

2,3,6-Trifluorobenzoic acid

Molecular Formula

C7H3F3O2

Molecular Mass

176.09

Cite this Page

2,3,6-Trifluorobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2358-29-4 (retrieved 2024-11-22) (CAS RN: 2358-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

InChIKey=MGUPHQGQNHDGNK-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(F)C(F)=CC=C1F

Canonical SMILES

O=C(O)C=1C(F)=CC=C(F)C1F

Other Names for this Substance

  • Benzoic acid, 2,3,6-trifluoro-
  • 2,3,6-Trifluorobenzoic acid
  • 2,5,6-Trifluorobenzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration