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Substance Name: Isopropyl nitrate
RN: 1712-64-7
InChIKey: GAPFWGOSHOCNBM-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-N-O3

Molecular Weight

  • 105.092
 
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Names and Synonyms

Name of Substance

  • Isopropyl nitrate

Synonyms

  • 4-01-00-01475 (Beilstein Handbook Reference)
  • BRN 1701405
  • EINECS 216-983-6
  • Isopropyl nitrate
  • Isopropylester kyseliny dusicne
  • Isopropylester kyseliny dusicne [Czech]
  • NSC 88934

Systematic Names

  • Isopropyl nitrate
  • Nitric acid, 1-methylethyl ester
  • Nitric acid, isopropyl ester

Superlist Names

  • Isopropyl nitrate [UN1222] [Flammable liquid]
  • UN1222

Registry Numbers

CAS Registry Number

  • 1712-64-7

System Generated Number

  • 0001712647

Structure Descriptors

InChI

1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

InChIKey

GAPFWGOSHOCNBM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 65gm/m3/2H (65000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 78, 1982.
rat LC50 inhalation 29gm/m3/2H (29000mg/m3)   Farmakologiya i Toksikologiya Vol. 33, Pg. 110, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 100 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Water Solubility 3650 mg/L 25 EXP
Vapor Pressure 34.1 mm Hg 25 EXP
Henry's Law Constant 0.00161 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.90E-13 cm3/molecule-sec 25 EXP

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