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Substance Name: Ethanol, 2,2,2-trinitro-
RN: 918-54-7
InChIKey: JGAGBYRIJUMEDB-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-N3-O7

Molecular Weight

  • 181.06
 
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Names and Synonyms

Synonyms

  • 2,2,2-Trinitroethanol
  • 4-01-00-01389 (Beilstein Handbook Reference)
  • BRN 1790157

Systematic Name

  • Ethanol, 2,2,2-trinitro-

Superlist Names

  • Trinitroethanol
  • Trinitroethanol [Forbidden]

Registry Numbers

CAS Registry Number

  • 918-54-7

System Generated Number

  • 0000918547

Structure Descriptors

InChI

1S/C2H3N3O7/c6-1-2(3(7)8,4(9)10)5(11)12/h6H,1H2

InChIKey

JGAGBYRIJUMEDB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 36mg/kg (36mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.