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Substance Name: Nitromethane
RN: 75-52-5
UNII: RU5WG8C3F4
InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N

Molecular Formula

  • C-H3-N-O2

Molecular Weight

  • 61.0397
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • TWA (20 ppm); Confirmed animal carcinogen with unknown relevance to humans
  • TWA 100 ppm (250 mg/m3)

Names and Synonyms

Name of Substance

  • Nitromethane

Synonyms

  • AI3-00111
  • CCRIS 1205
  • EC 200-876-6
  • EINECS 200-876-6
  • HSDB 106
  • Methane, nitro-
  • Nitrocarbol
  • Nitrometan
  • Nitrometan [Polish]
  • Nitromethane
  • NSC 428
  • UNII-RU5WG8C3F4

Systematic Names

  • Methane, nitro-
  • Nitromethane

Superlist Names

  • Methane, nitro-
  • Nitromethane
  • Nitromethane [UN1261] [Flammable liquid]
  • UN1261

Registry Numbers

CAS Registry Number

  • 75-52-5

FDA UNII

  • RU5WG8C3F4

Other Registry Number

  • 104306-48-1

System Generated Number

  • 0000075525

Structure Descriptors

InChI

1S/CH3NO2/c1-2(3)4/h1H3

InChIKey

LYGJENNIWJXYER-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 800mg/kg (800mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955.
dog LDLo oral 125mg/kg (125mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI
AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955.
guinea pig LCLo inhalation 5000ppm/3H (5000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
monkey LCLo inhalation 1000ppm (1000ppm)   Industrial Medicine. Vol. 16, Pg. 441, 1947.
mouse LCLo inhalation 18gm/m3/2H (18000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 93, 1982.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LD50 oral 950mg/kg (950mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967.
rabbit LCLo inhalation 5000ppm/6H (5000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rabbit LD skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0516767,
rabbit LDLo intravenous 750mg/kg (750mg/kg)   AMA Archives of Industrial Health. Vol. 11, Pg. 102, 1955.
rabbit LDLo oral 750mg/kg (750mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LCLo inhalation 12750mg/m3/1H (12750mg/m3)   National Technical Information Service. Vol. OTS0516767,
rat LD50 oral 940mg/kg (940mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967.
rat LDLo intraperitoneal 1500mg/kg (1500mg/kg)   Bulletin de la Societe de Pharmacie de Lille. Vol. (1), Pg. 29, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.85E+01 deg C   EXP
Boiling Point 101.1 deg C   EXP
log P (octanol-water) -0.35 (none)   EXP
Water Solubility 1.11E+05 mg/L 25 EXP
Vapor Pressure 35.8 mm Hg 25 EXP
Henry's Law Constant 2.86E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.30E-13 cm3/molecule-sec 25 EXP

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