1,2-Dichloro-4-isothiocyanatobenzene

CAS Registry Number®

6590-94-9
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CAS Name

1,2-Dichloro-4-isothiocyanatobenzene

Molecular Formula

C7H3Cl2NS

Molecular Mass

204.08

Cite this Page

1,2-Dichloro-4-isothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6590-94-9 (retrieved 2024-04-28) (CAS RN: 6590-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    134.8-135.9 °C @ Press: 7 Torr

  • Melting Point (2)

    178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

InChIKey

InChIKey=OSBIEFWIIINTNJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC1=CC=C(Cl)C(Cl)=C1

Other Names for this Substance

  • Benzene, 1,2-dichloro-4-isothiocyanato-
  • Isothiocyanic acid, 3,4-dichlorophenyl ester
  • 1,2-Dichloro-4-isothiocyanatobenzene
  • 3,4-Dichlorophenyl isothiocyanate
  • NSC 220236

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