2,4-Dichlorophenyl isothiocyanate

CAS Registry Number®

6590-96-1

CAS Name

2,4-Dichlorophenyl isothiocyanate

Molecular Formula

C7H3Cl2NS

Molecular Mass

204.08

Cite this Page

2,4-Dichlorophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6590-96-1 (retrieved 2024-11-25) (CAS RN: 6590-96-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    139-142 °C @ Press: 13 Torr

  • Melting Point (2)

    58-59 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WVBNZZHGECFCSH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC1=CC=C(Cl)C=C1Cl

Other Names for this Substance

  • Benzene, 2,4-dichloro-1-isothiocyanato-
  • Isothiocyanic acid, 2,4-dichlorophenyl ester
  • 2,4-Dichloro-1-isothiocyanatobenzene
  • 2,4-Dichlorophenyl isothiocyanate
  • AF 100

View All

CAS INSIGHTSTM
Hourglass and a clock