1,3-Diisothiocyanatobenzene

CAS Registry Number®

3125-77-7

CAS Name

1,3-Diisothiocyanatobenzene

Molecular Formula

C8H4N2S2

Molecular Mass

192.26

Cite this Page

1,3-Diisothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3125-77-7 (retrieved 2024-11-24) (CAS RN: 3125-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    54.8-55.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H

InChIKey

InChIKey=BOLANQNHTGVOMY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,3-diisothiocyanato-
  • Isothiocyanic acid, m-phenylene ester
  • 1,3-Diisothiocyanatobenzene
  • m-Phenylenediisothiocyanate
  • m-Isothiocyanatophenyl isothiocyanate

View All

Deleted or Replaced CAS Registry Numbers

119305-43-0

CAS INSIGHTSTM
Hourglass and a clock