2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene

CAS Registry Number®

76729-41-4
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CAS Name

2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene

Molecular Formula

C8H3ClF3NOS

Molecular Mass

253.63

Cite this Page

2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=76729-41-4 (retrieved 2024-06-21) (CAS RN: 76729-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H3ClF3NOS/c9-6-3-5(13-4-14)1-2-7(6)15-8(10,11)12/h1-3H

InChIKey

InChIKey=QRTGGBWQVAPQNT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=C(SC(F)(F)F)C(Cl)=C1

Other Names for this Substance

  • Benzene, 2-chloro-4-isocyanato-1-[(trifluoromethyl)thio]-
  • 2-Chloro-4-isocyanato-1-[(trifluoromethyl)thio]benzene
  • 2-Chloro-4-isocyanato-1-trifluoromethylsulfanylbenzene

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