1-Chloro-4-(isothiocyanatomethyl)benzene

CAS Registry Number®

3694-45-9

CAS Name

1-Chloro-4-(isothiocyanatomethyl)benzene

Molecular Formula

C8H6ClNS

Molecular Mass

183.66

Cite this Page

1-Chloro-4-(isothiocyanatomethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3694-45-9 (retrieved 2024-11-22) (CAS RN: 3694-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105-108 °C @ Press: 0.35 Torr

  • Density (1)

    1.291 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DEHXIHUIYSXZNH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCC1=CC=C(Cl)C=C1

Other Names for this Substance

  • Benzene, 1-chloro-4-(isothiocyanatomethyl)-
  • Isothiocyanic acid, p-chlorobenzyl ester
  • Toluene, p-chloro-α-isothiocyanato-
  • 1-Chloro-4-(isothiocyanatomethyl)benzene
  • p-Chlorobenzyl isothiocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration