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Substance Name: Methane, bromotrinitro-
RN: 560-95-2
InChIKey: KWSSHZBBUQSMKF-UHFFFAOYSA-N

Molecular Formula

  • C-Br-N3-O6

Molecular Weight

  • 229.93
 
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Names and Synonyms

Synonyms

  • 3-01-00-00116 (Beilstein Handbook Reference)
  • BRN 1787170
  • Bromotrinitromethane

Systematic Name

  • Methane, bromotrinitro-

Registry Numbers

CAS Registry Number

  • 560-95-2

System Generated Number

  • 0000560952

Structure Descriptors

InChI

1S/CBrN3O6/c2-1(3(6)7,4(8)9)5(10)11

InChIKey

KWSSHZBBUQSMKF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/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 17.5 deg C   EXP
log P (octanol-water) -0.840 (none)   EST
Water Solubility 3900 mg/L 25 EXP
Atmospheric OH Rate Constant 3.90E-13 cm3/molecule-sec 25 EST

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