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Substance Name: Tetranitromethane
RN: 509-14-8
UNII: K1G7CKU98F
InChIKey: NYTOUQBROMCLBJ-UHFFFAOYSA-N

Note

  • Corrosive oxidant, explosive; additive to diesel and rocket fuels; causes skin and lung irritation; proposed war gas. A useful reagent for studying the modification of specific amino acids, particularly tyrosine residues in proteins. Has also been used for studying carbanion formation and for detecting the presence of double bonds in organic compounds.

Molecular Formula

  • C-N4-O8

Molecular Weight

  • 196.031
 

Classification Codes

Classification Codes

  • Chemical Warfare Agents
  • Explosive Agents
  • Indicators and Reagents
  • Mutation Data
  • Noxae
  • Oxidants
  • Poisons
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.005 ppm); Confirmed animal carcinogen with unknown relevance to humans
  • TWA 1 ppm (8 mg/m3)

Names and Synonyms

Name of Substance

  • Tetranitromethane

MeSH Heading

  • Tetranitromethane

Synonyms

  • CCRIS 2371
  • EINECS 208-094-7
  • HSDB 852
  • NCI-C55947
  • NSC 16146
  • RCRA waste number P112
  • Tetan
  • Tetranitromethane
  • UNII-K1G7CKU98F

Systematic Names

  • Methane, tetranitro-
  • Tetranitromethane

Superlist Names

  • Methane, tetranitro-
  • RCRA waste no. P112
  • Tetranitromethane
  • Tetranitromethane [UN1510] [Oxidizer]
  • UN1510

Registry Numbers

CAS Registry Number

  • 509-14-8

FDA UNII

  • K1G7CKU98F

System Generated Number

  • 0000509148

Structure Descriptors

InChI

1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13

InChIKey

NYTOUQBROMCLBJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 100ppm/20M (100ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 403, 1986.
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 LC50 inhalation 54ppm/4H (54ppm) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN National Technical Information Service. Vol. AD-A051-334,
mouse LD50 intraperitoneal 53mg/kg (53mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LD50 intravenous 63100ug/kg (63.1mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
mouse LD50 oral 375mg/kg (375mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. AD-A051-334,
rat LC50 inhalation 18ppm/4H (18ppm) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
rat LD50 intravenous 12600ug/kg (12.6mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
rat LD50 oral 130mg/kg (130mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
National Technical Information Service. Vol. AD-A051-334,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 13.8 deg C   EXP
Boiling Point 126.1 deg C   EXP
log P (octanol-water) -2.050 (none)   EST
Water Solubility 8.50E+04 mg/L 25 EST
Vapor Pressure 8.42 mm Hg 25 EXP
Henry's Law Constant 2.56E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.20E-13 cm3/molecule-sec 25 EST

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