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Substance Name: n-Propyl nitrate
RN: 627-13-4
UNII: 983R6RCP6F
InChIKey: JNTOKFNBDFMTIV-UHFFFAOYSA-N

Classification Codes

  • TWA (25 ppm); STEL (40 ppm); BEI
  • TWA 25 ppm (110 mg/m3)

Molecular Formula

  • C3-H7-N-O3

Molecular Weight

  • 105.0923
 
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Names and Synonyms

Name of Substance

  • n-Propyl nitrate
  • Propyl nitrate

Synonyms

  • 4-01-00-01424 (Beilstein Handbook Reference)
  • BRN 1701406
  • EINECS 210-985-0
  • HSDB 7198
  • Monopropyl nitrate
  • n-Propyl nitrate
  • Nitrate de propyle normal
  • Nitrate de propyle normal [French]
  • Nitric acid, propyl ester
  • Propyl nitrate
  • Propylester kyseliny dusicne
  • Propylester kyseliny dusicne [Czech]
  • UNII-983R6RCP6F

Systematic Names

  • n-Propyl nitrate
  • Nitric acid, propyl ester
  • Propyl nitrate

Superlist Names

  • n-Propyl nitrate
  • n-Propyl nitrate [UN1865] [Flammable liquid]
  • Nitric acid, propyl ester
  • UN1865

Registry Numbers

CAS Registry Number

  • 627-13-4

FDA UNII

  • 983R6RCP6F

System Generated Number

  • 0000627134

Structure Descriptors

InChI

1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey

JNTOKFNBDFMTIV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
dog LDLo intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
mouse LCLo inhalation 5816ppm/4H (5816ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
American Industrial Hygiene Association Journal. Vol. 19, Pg. 80, 1958.
rabbit LD50 intravenous 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 118, Pg. 77, 1956.
rat LCLo inhalation 5816ppm/4H (5816ppm) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 80, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+02 deg C   EXP
Boiling Point 110 deg C   EXP
log P (octanol-water) 1.740 (none)   EST
Water Solubility 3290 mg/L 25 EXP
Vapor Pressure 23.5 mm Hg 25 EXP
Henry's Law Constant 0.00127 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.30E-13 cm3/molecule-sec 25 EXP

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