4-[(Trifluoromethyl)sulfonyl]benzoic acid

CAS Registry Number®

312-22-1
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CAS Name

4-[(Trifluoromethyl)sulfonyl]benzoic acid

Molecular Formula

C8H5F3O4S

Molecular Mass

254.18

Cite this Page

4-[(Trifluoromethyl)sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=312-22-1 (retrieved 2024-06-26) (CAS RN: 312-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    239-240 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O4S/c9-8(10,11)16(14,15)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChIKey

InChIKey=OQBZJBCMJFAWCV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-
  • Benzoic acid, p-[(trifluoromethyl)sulfonyl]-
  • 4-[(Trifluoromethyl)sulfonyl]benzoic acid
  • 4-(Trifluoromethylsulfonyl)benzoic acid

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