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

CAS Registry Number®

23165-49-3
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CAS Name

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

Molecular Formula

C8H3ClF3NS

Molecular Mass

237.63

Cite this Page

1-Chloro-2-isothiocyanato-4-(trifluoromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23165-49-3 (retrieved 2024-04-19) (CAS RN: 23165-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KHTMKXDMVYHDSY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-chloro-2-isothiocyanato-4-(trifluoromethyl)-
  • Isothiocyanic acid, 6-chloro-α,α,α-trifluoro-m-tolyl ester
  • 1-Chloro-2-isothiocyanato-4-(trifluoromethyl)benzene
  • 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate
  • NSC 172980

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