1-Chloro-3-(isothiocyanatomethyl)benzene

CAS Registry Number®

3694-58-4
No image available.

CAS Name

1-Chloro-3-(isothiocyanatomethyl)benzene

Molecular Formula

C8H6ClNS

Molecular Mass

183.66

Cite this Page

1-Chloro-3-(isothiocyanatomethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3694-58-4 (retrieved 2024-04-29) (CAS RN: 3694-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-145 °C @ Press: 6 Torr

  • Density (1)

    1.201 g/cm³ @ Temp: 27 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GGNLZOLEJMSOKU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCC=1C=CC=C(Cl)C1

Other Names for this Substance

  • Benzene, 1-chloro-3-(isothiocyanatomethyl)-
  • Isothiocyanic acid, m-chlorobenzyl ester
  • Toluene, m-chloro-α-isothiocyanato-
  • 1-Chloro-3-(isothiocyanatomethyl)benzene
  • 3-Chlorobenzyl isothiocyanate

View All

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser