3,5-Bis(trifluoromethyl)benzoic acid

CAS Registry Number®

725-89-3
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CAS Name

3,5-Bis(trifluoromethyl)benzoic acid

Molecular Formula

C9H4F6O2

Molecular Mass

258.12

Cite this Page

3,5-Bis(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=725-89-3 (retrieved 2024-04-28) (CAS RN: 725-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-143 °C (sublm)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)

InChIKey

InChIKey=HVFQJWGYVXKLTE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)benzoic acid
  • NSC 88282
  • 3,5-Di(trifluoromethyl)benzoic acid

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