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Substance Name: tert-Butyl isocyanate
RN: 1609-86-5
UNII: 2RHQ1BS36D
InChIKey: MGOLNIXAPIAKFM-UHFFFAOYSA-N

Note

  • Inhibits carcinogen-induced neoplasia.

Molecular Formula

  • C5-H9-N-O

Molecular Weight

  • 99.1321
 
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Names and Synonyms

Name of Substance

  • tert-Butyl isocyanate

Synonyms

  • CCRIS 3590
  • EC 216-544-9
  • EINECS 216-544-9
  • tert-Butyl isocyanate
  • UNII-2RHQ1BS36D

Systematic Names

  • Propane, 2-isocyanato-2-methyl-
  • tert-Butyl isocyanate

Superlist Names

  • tert-Butyl isocyanate
  • tert-Butyl isocyanate [UN2484] [Poison]
  • UN2484

Registry Numbers

CAS Registry Number

  • 1609-86-5

FDA UNII

  • 2RHQ1BS36D

Other Registry Numbers

  • 44584-76-1
  • 945715-84-4

System Generated Number

  • 0001609865

Structure Descriptors

InChI

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

InChIKey

MGOLNIXAPIAKFM-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85.5 deg C   EXP
log P (octanol-water) 2.150 (none)   EST
Atmospheric OH Rate Constant 5.02E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.