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Substance Name: Ethane, 1,1,1-trinitro-
RN: 595-86-8
InChIKey: HSYGKEBJFKQOLE-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-N3-O6

Molecular Weight

  • 165.061
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trinitroethane
  • 4-01-00-00175 (Beilstein Handbook Reference)
  • BRN 1783331

Systematic Name

  • Ethane, 1,1,1-trinitro-

Registry Numbers

CAS Registry Number

  • 595-86-8

System Generated Number

  • 0000595868

Structure Descriptors

InChI

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

InChIKey

HSYGKEBJFKQOLE-UHFFFAOYSA-N

Smiles

C([N+]([O-])=O)([N+]([O-])=O)([N+]([O-])=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 105mg/kg (105mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57 deg C   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.