1-Chloro-2-isothiocyanato-4-nitrobenzene

CAS Registry Number®

57135-68-9
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CAS Name

1-Chloro-2-isothiocyanato-4-nitrobenzene

Molecular Formula

C7H3ClN2O2S

Molecular Mass

214.63

Cite this Page

1-Chloro-2-isothiocyanato-4-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57135-68-9 (retrieved 2024-04-29) (CAS RN: 57135-68-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(10(11)12)3-7(6)9-4-13/h1-3H

InChIKey

InChIKey=QSSZYQDXSYYXKK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-chloro-2-isothiocyanato-4-nitro-
  • 1-Chloro-2-isothiocyanato-4-nitrobenzene
  • 2-Chloro-5-nitrophenyl isothiocyanate

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