4-[(Trifluoromethyl)sulfonyl]benzonitrile

CAS Registry Number®

312-21-0

CAS Name

4-[(Trifluoromethyl)sulfonyl]benzonitrile

Molecular Formula

C8H4F3NO2S

Molecular Mass

235.18

Cite this Page

4-[(Trifluoromethyl)sulfonyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=312-21-0 (retrieved 2024-11-22) (CAS RN: 312-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    89-90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7/h1-4H

InChIKey

InChIKey=UHCGSMMNICMDIX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 4-[(trifluoromethyl)sulfonyl]-
  • 4-[(Trifluoromethyl)sulfonyl]benzonitrile
  • 4-(Trifluoromethylsulfonyl)benzonitrile
  • 4-Cyanophenyl trifluoromethyl sulfone

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