Allyl isocyanate

CAS Registry Number®

1476-23-9

CAS Name

Allyl isocyanate

Molecular Formula

C4H5NO

Molecular Mass

83.09

Cite this Page

Allyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1476-23-9 (retrieved 2025-04-03) (CAS RN: 1476-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    87-89 °C @ Press: 755 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

InChIKey

InChIKey=HXBPYFMVGFDZFT-UHFFFAOYSA-N

SMILES

C(N=C=O)C=C

Canonical SMILES

O=C=NCC=C

Other Names for this Substance

  • 1-Propene, 3-isocyanato-
  • Isocyanic acid, allyl ester
  • 3-Isocyanato-1-propene
  • Propene, 3-isocyanato-
  • Allyl isocyanate

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