1,1,1-Trinitropropane

CAS Registry Number®

5437-63-8

CAS Name

1,1,1-Trinitropropane

Molecular Formula

C3H5N3O6

Molecular Mass

179.09

Cite this Page

1,1,1-Trinitropropane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5437-63-8 (retrieved 2025-05-15) (CAS RN: 5437-63-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    58-59 °C @ Press: 8 Torr

  • Melting Point (2)

    -57.7 °C

  • Density (2)

    1.3988 g/cm³ @ Temp: 22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C3H5N3O6/c1-2-3(4(7)8,5(9)10)6(11)12/h2H2,1H3

InChIKey

InChIKey=WFNMEOVAYOYUJO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propane, 1,1,1-trinitro-
  • 1,1,1-Trinitropropane
  • NSC 16154

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