Isobutyl nitrite

CAS Registry Number®

542-56-3

CAS Name

Isobutyl nitrite

Molecular Formula

C4H9NO2

Molecular Mass

103.12

Cite this Page

Isobutyl nitrite.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=542-56-3 (retrieved 2024-11-22) (CAS RN: 542-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    67 °C

  • Density (1)

    0.870 g/cm³ @ Temp: 22 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3

InChIKey

InChIKey=APNSGVMLAYLYCT-UHFFFAOYSA-N

SMILES

C(C(C)C)ON=O

Canonical SMILES

O=NOCC(C)C

Other Names for this Substance

  • Nitrous acid, 2-methylpropyl ester
  • Nitrous acid, isobutyl ester
  • Isobutyl nitrite
  • iso-Butyl nitrite
  • Blackjack

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration