4-Cyanophenyl isocyanate

CAS Registry Number®

40465-45-0

CAS Name

4-Cyanophenyl isocyanate

Molecular Formula

C8H4N2O

Molecular Mass

144.13

Cite this Page

4-Cyanophenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40465-45-0 (retrieved 2024-11-21) (CAS RN: 40465-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129-132 °C @ Press: 12 Torr

  • Melting Point (1)

    102-102.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H

InChIKey

InChIKey=TVSXDZNUTPLDKY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(N=C=O)C=C1

Other Names for this Substance

  • Benzonitrile, 4-isocyanato-
  • 4-Isocyanatobenzonitrile
  • 4-Cyanophenyl isocyanate
  • p-Cyanophenyl isocyanate
  • 4-Cyano-isocyanatobenzene

Deleted or Replaced CAS Registry Numbers

55021-74-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration