1,1,1-Trinitroethane

CAS Registry Number®

595-86-8
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CAS Name

1,1,1-Trinitroethane

Molecular Formula

C2H3N3O6

Molecular Mass

165.06

Cite this Page

1,1,1-Trinitroethane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=595-86-8 (retrieved 2024-08-25) (CAS RN: 595-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    68 °C

  • Melting Point (1)

    57 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C2H3N3O6/c1-2(3(6)7,4(8)9)5(10)11/h1H3

InChIKey

InChIKey=HSYGKEBJFKQOLE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ethane, 1,1,1-trinitro-
  • 1,1,1-Trinitroethane