1-Nitrooctane

CAS Registry Number®

629-37-8
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CAS Name

1-Nitrooctane

Molecular Formula

C8H17NO2

Molecular Mass

159.23

Cite this Page

1-Nitrooctane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=629-37-8 (retrieved 2024-09-08) (CAS RN: 629-37-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    98-102 °C @ Press: 13 Torr

  • Melting Point (2)

    15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3

InChIKey

InChIKey=KLGHUFNKRIWCDQ-UHFFFAOYSA-N

SMILES

C(CCCCC)CCN(=O)=O

Canonical SMILES

O=N(=O)CCCCCCCC

Other Names for this Substance

  • Octane, 1-nitro-
  • 1-Nitrooctane
  • NSC 3659
  • 1-Nitro-n-octane