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Substance Name: Methane, chlorotrinitro-
RN: 1943-16-4
InChIKey: GNZCDDDPGSFZFG-UHFFFAOYSA-N

Molecular Formula

  • C-Cl-N3-O6

Molecular Weight

  • 185.479
 
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Names and Synonyms

Synonyms

  • 3-01-00-00116 (Beilstein Handbook Reference)
  • BRN 1787167
  • Chlorotrinitromethane

Systematic Name

  • Methane, chlorotrinitro-

Registry Numbers

CAS Registry Number

  • 1943-16-4

System Generated Number

  • 0001943164

Structure Descriptors

InChI

1S/CClN3O6/c2-1(3(6)7,4(8)9)5(10)11

InChIKey

GNZCDDDPGSFZFG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LCLo inhalation 5gm/m3 (5000mg/m3) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 171, Pg. 1396, 1920.
mammal (species unspecified) LDLo intraperitoneal 500mg/kg (500mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 171, Pg. 1396, 1920.
mouse LD50 intraperitoneal 29300ug/kg (29.3mg/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 4.5 deg C   EXP
log P (octanol-water) -0.930 (none)   EST
Water Solubility 2200 mg/L 20 EXP
Atmospheric OH Rate Constant 3.90E-13 cm3/molecule-sec 25 EST

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