1-Nitro-3-methylbutane

CAS Registry Number®

627-67-8
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CAS Name

1-Nitro-3-methylbutane

Molecular Formula

C5H11NO2

Molecular Mass

117.15

Cite this Page

1-Nitro-3-methylbutane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=627-67-8 (retrieved 2024-08-19) (CAS RN: 627-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    163.5 °C

  • Melting Point (1)

    97 °C

  • Density (2)

    0.8828 g/cm³ @ Temp: 19.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

InChIKey

InChIKey=FEJLPMVSVDSKHJ-UHFFFAOYSA-N

SMILES

C(CN(=O)=O)C(C)C

Canonical SMILES

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

Other Names for this Substance

  • Butane, 3-methyl-1-nitro-
  • 3-Methyl-1-nitrobutane
  • 1-Nitro-3-methylbutane