1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene

CAS Registry Number®

23163-86-2
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CAS Name

1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene

Molecular Formula

C8H3ClF3NS

Molecular Mass

237.63

Cite this Page

1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23163-86-2 (retrieved 2024-04-28) (CAS RN: 23163-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H3ClF3NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChIKey

InChIKey=AHFPRSSHNSGRCU-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=CC(N=C=S)=CC=C1Cl

Canonical SMILES

FC(F)(F)C1=CC(N=C=S)=CC=C1Cl

Other Names for this Substance

  • Benzene, 1-chloro-4-isothiocyanato-2-(trifluoromethyl)-
  • Isothiocyanic acid, 4-chloro-α,α,α-trifluoro-m-tolyl ester
  • 1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
  • 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate

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