tert-Butyl isocyanate

CAS Registry Number®

1609-86-5

CAS Name

tert-Butyl isocyanate

Molecular Formula

C5H9NO

Molecular Mass

99.13

Cite this Page

tert-Butyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1609-86-5 (retrieved 2024-11-21) (CAS RN: 1609-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    85 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3

InChIKey

InChIKey=MGOLNIXAPIAKFM-UHFFFAOYSA-N

SMILES

N(C(C)(C)C)=C=O

Canonical SMILES

O=C=NC(C)(C)C

Other Names for this Substance

  • Propane, 2-isocyanato-2-methyl-
  • Isocyanic acid, tert-butyl ester
  • 2-Isocyanato-2-methylpropane
  • tert-Butyl isocyanate
  • 1,1-Dimethylethyl isocyanate

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Deleted or Replaced CAS Registry Numbers

44584-76-1, 945715-84-4