2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzoic acid

CAS Registry Number®

5216-22-8

CAS Name

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzoic acid

Molecular Formula

C8HF7O2

Molecular Mass

262.08

Cite this Page

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5216-22-8 (retrieved 2024-11-22) (CAS RN: 5216-22-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    112 °C @ Press: 760 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8HF7O2/c9-3-1(7(16)17)4(10)6(12)2(5(3)11)8(13,14)15/h(H,16,17)

InChIKey

InChIKey=VSDRQVXQXFLZEG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
  • p-Toluic acid, heptafluoro-
  • 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzoic acid
  • 2,3,5,6-Tetrafluoro-4-trifluoromethylbenzoic acid
  • Perfluoro-4-methylbenzoic acid

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