4-Chlorophenyl isothiocyanate

CAS Registry Number®

2131-55-7

CAS Name

4-Chlorophenyl isothiocyanate

Molecular Formula

C7H4ClNS

Molecular Mass

169.63

Cite this Page

4-Chlorophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2131-55-7 (retrieved 2024-11-24) (CAS RN: 2131-55-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    249.5 °C

  • Melting Point (1)

    46 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

InChIKey=MZZVFXMTZTVUFO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-chloro-4-isothiocyanato-
  • Isothiocyanic acid, p-chlorophenyl ester
  • 1-Chloro-4-isothiocyanatobenzene
  • 4-Chlorophenyl isothiocyanate
  • Sch 20350

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Deleted or Replaced CAS Registry Numbers

1869985-70-5, 2058089-23-7, 2124236-49-1

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