tert-Butyl isocyanate
CAS Registry Number®
1609-86-5
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CAS Name
tert-Butyl isocyanateMolecular Formula
C5H9NOMolecular Mass
99.13Cite this Page
tert-Butyl isocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1609-86-5 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
44584-76-1, 945715-84-4
