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Substance Name: Methyl nitrate
RN: 598-58-3
UNII: LAD9RT85ES
InChIKey: LRMHVVPPGGOAJQ-UHFFFAOYSA-N

Molecular Formula

  • C-H3-N-O3

Molecular Weight

  • 77.0387
 
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Names and Synonyms

Name of Substance

  • Methyl nitrate

Synonyms

  • 4-01-00-01254 (Beilstein Handbook Reference)
  • BRN 1699872
  • EINECS 209-941-3
  • Methyl nitrate
  • Methylester kyseliny dusicne
  • Methylester kyseliny dusicne [Czech]
  • UNII-LAD9RT85ES

Systematic Names

  • Methyl nitrate
  • Nitric acid, methyl ester

Superlist Name

  • Methyl nitrate [Forbidden]

Registry Numbers

CAS Registry Number

  • 598-58-3

FDA UNII

  • LAD9RT85ES

System Generated Number

  • 0000598583

Structure Descriptors

InChI

1S/CH3NO3/c1-5-2(3)4/h1H3

InChIKey

LRMHVVPPGGOAJQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 548mg/kg (548mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
mouse LC50 inhalation 5942ppm/4H (5942ppm) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
mouse LD50 oral 1820mg/kg (1820mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
rat LC50 inhalation 1275ppm/4H (1275ppm) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,
rat LD50 oral 344mg/kg (344mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Aerospace Medical Research Laboratory Report. Vol. TR-77-25, Pg. 1977,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.25E+01 deg C   EXP
Boiling Point 64.6 deg C   EXP
log P (octanol-water) 0.760 (none)   EST
Water Solubility 2.99E+04 mg/L 25 EST
Vapor Pressure 180 mm Hg 25 EST
Henry's Law Constant 1.98E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.50E-13 cm3/molecule-sec 25 EXP

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