4-Chlorophenyl isocyanate

CAS Registry Number®

104-12-1

CAS Name

4-Chlorophenyl isocyanate

Molecular Formula

C7H4ClNO

Molecular Mass

153.57

Cite this Page

4-Chlorophenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104-12-1 (retrieved 2024-11-22) (CAS RN: 104-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115-117 °C @ Press: 45 Torr

  • Melting Point (1)

    30-31 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

InChIKey=ADAKRBAJFHTIEW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-chloro-4-isocyanato-
  • Isocyanic acid, p-chlorophenyl ester
  • 1-Chloro-4-isocyanatobenzene
  • p-Chlorophenyl isocyanate
  • 4-Chlorophenyl isocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration