Benzyl isocyanate

CAS Registry Number®

3173-56-6

CAS Name

Benzyl isocyanate

Molecular Formula

C8H7NO

Molecular Mass

133.15

Cite this Page

Benzyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3173-56-6 (retrieved 2024-11-21) (CAS RN: 3173-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    88-91 °C @ Press: 20 Torr

  • Melting Point (2)

    87 °C

  • Density (3)

    1.0838 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

InChIKey=YDNLNVZZTACNJX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NCC=1C=CC=CC1

Other Names for this Substance

  • Benzene, (isocyanatomethyl)-
  • Isocyanic acid, benzyl ester
  • (Isocyanatomethyl)benzene
  • α-Isocyanatotoluene
  • Benzyl isocyanate

View All

Deleted or Replaced CAS Registry Numbers

1025436-19-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration