5-Methyl-5-nitro-2-hexanone

CAS Registry Number®

4604-49-3

CAS Name

5-Methyl-5-nitro-2-hexanone

Molecular Formula

C7H13NO3

Molecular Mass

159.18

Cite this Page

5-Methyl-5-nitro-2-hexanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4604-49-3 (retrieved 2025-07-13) (CAS RN: 4604-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    69-71 °C @ Press: 0.02 Torr

  • Density (2)

    1.05644 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3

InChIKey

InChIKey=QWHNMIXUSPUHGO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Hexanone, 5-methyl-5-nitro-
  • 5-Methyl-5-nitro-2-hexanone
  • NSC 16186

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