Butyl isocyanate

CAS Registry Number®

111-36-4

CAS Name

Butyl isocyanate

Molecular Formula

C5H9NO

Molecular Mass

99.13

Cite this Page

Butyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111-36-4 (retrieved 2024-11-22) (CAS RN: 111-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115 °C

  • Melting Point (1)

    <-70 °C

  • Density (1)

    0.9 g/cm³

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3

InChIKey

InChIKey=HNHVTXYLRVGMHD-UHFFFAOYSA-N

SMILES

C(CCC)N=C=O

Canonical SMILES

O=C=NCCCC

Other Names for this Substance

  • Butane, 1-isocyanato-
  • Isocyanic acid, butyl ester
  • 1-Isocyanatobutane
  • Butyl isocyanate
  • n-Butyl isocyanate