1-Chloro-2-(isothiocyanatomethyl)benzene

CAS Registry Number®

18967-44-7

CAS Name

1-Chloro-2-(isothiocyanatomethyl)benzene

Molecular Formula

C8H6ClNS

Molecular Mass

183.66

Cite this Page

1-Chloro-2-(isothiocyanatomethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18967-44-7 (retrieved 2024-11-25) (CAS RN: 18967-44-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    94-98 °C @ Press: 0.23 Torr

  • Density (1)

    1.282 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

InChIKey

InChIKey=RMVDNJDSLXQPAV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCC=1C=CC=CC1Cl

Other Names for this Substance

  • Benzene, 1-chloro-2-(isothiocyanatomethyl)-
  • Isothiocyanic acid, o-chlorobenzyl ester
  • Toluene, o-chloro-α-isothiocyanato-
  • 1-Chloro-2-(isothiocyanatomethyl)benzene
  • 2-Chlorobenzyl isothiocyanate

View All

CAS INSIGHTSTM
Hourglass and a clock