2,3,4,5-Tetrafluorobenzoic acid

CAS Registry Number®

1201-31-6

CAS Name

2,3,4,5-Tetrafluorobenzoic acid

Molecular Formula

C7H2F4O2

Molecular Mass

194.08

Cite this Page

2,3,4,5-Tetrafluorobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1201-31-6 (retrieved 2024-11-24) (CAS RN: 1201-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    135-137 °C @ Press: 23 Torr

  • Melting Point (2)

    86 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)

InChIKey

InChIKey=SFKRXQKJTIYUAG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2,3,4,5-tetrafluoro-
  • 2,3,4,5-Tetrafluorobenzoic acid
  • 3,4,5,6-Tetrafluorobenzoic acid
  • NSC 168728

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