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Substance Name: Trinitromethane
RN: 517-25-9
UNII: Q5IR4EM1R0
InChIKey: LZGVDNRJCGPNDS-UHFFFAOYSA-N

Molecular Formula

  • C-H-N3-O6

Molecular Weight

  • 151.034
 
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Names and Synonyms

Name of Substance

  • Trinitromethane

Synonyms

  • 4-01-00-00107 (Beilstein Handbook Reference)
  • BRN 1708361
  • EINECS 208-236-8
  • Nitroform
  • UNII-Q5IR4EM1R0

Systematic Names

  • Methane, trinitro-
  • Trinitromethane

Superlist Name

  • Trinitromethane [Forbidden]

Registry Numbers

CAS Registry Number

  • 517-25-9

FDA UNII

  • Q5IR4EM1R0

Other Registry Number

  • 57073-37-7

System Generated Number

  • 0000517259

Structure Descriptors

InChI

1S/CHN3O6/c5-2(6)1(3(7)8)4(9)10/h1H

InChIKey

LZGVDNRJCGPNDS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LCLo inhalation 200mg/m3 (200mg/m3) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 134, 1962.
mouse LC50 inhalation 800mg/m3/2H (800mg/m3) BEHAVIORAL: ATAXIA

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 6, Pg. 81, 1964.
mouse LD50 intraperitoneal 115mg/kg (115mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LDLo oral 300mg/kg (300mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 93, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
log P (octanol-water) -1.850 (none)   EST
Atmospheric OH Rate Constant 3.90E-13 cm3/molecule-sec 25 EST

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