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Substance Name: Propane, 1,1,1-trinitro-
RN: 5437-63-8
InChIKey: WFNMEOVAYOYUJO-UHFFFAOYSA-N

Molecular Formula

  • C3-H5-N3-O6

Molecular Weight

  • 179.087
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trinitropropane
  • BRN 1841917
  • NSC 16154

Systematic Name

  • Propane, 1,1,1-trinitro-

Registry Numbers

CAS Registry Number

  • 5437-63-8

System Generated Number

  • 0005437638

Structure Descriptors

InChI

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

InChIKey

WFNMEOVAYOYUJO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.