3-(Trifluoromethyl)benzenesulfonyl chloride

CAS Registry Number®

777-44-6
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CAS Name

3-(Trifluoromethyl)benzenesulfonyl chloride

Molecular Formula

C7H4ClF3O2S

Molecular Mass

244.62

Cite this Page

3-(Trifluoromethyl)benzenesulfonyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=777-44-6 (retrieved 2024-04-30) (CAS RN: 777-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    88-90 °C @ Press: 6 Torr

  • Melting Point (2)

    90-92 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChIKey

InChIKey=ONCAZCNPWWQQMW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=S(=O)(Cl)C=1C=CC=C(C1)C(F)(F)F

Other Names for this Substance

  • Benzenesulfonyl chloride, 3-(trifluoromethyl)-
  • m-Toluenesulfonyl chloride, α,α,α-trifluoro-
  • 3-(Trifluoromethyl)benzenesulfonyl chloride
  • m-(Trifluoromethyl)benzenesulfonyl chloride
  • α,α,α-Trifluoro-m-toluenesulfonyl chloride

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Deleted or Replaced CAS Registry Numbers

115596-36-6

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