Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-

CAS Registry Number®

18967-42-5
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CAS Name

Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-

Molecular Formula

C8H5Cl2NS

Molecular Mass

218.10

Cite this Page

Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18967-42-5 (retrieved 2024-05-15) (CAS RN: 18967-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    124-128 °C @ Press: 0.37 Torr

  • Density (1)

    1.409 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2

InChIKey

InChIKey=DPSSHXWTNIGVMQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-
  • Isothiocyanic acid, 3,4-dichlorobenzyl ester
  • Toluene, 3,4-dichloro-α-isothiocyanato-
  • 3,4-Dichlorobenzyl isothiocyanate
  • NSC 221245

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