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Substance Name: Butyl nitrate
RN: 928-45-0
UNII: 00YK6AM7PG
InChIKey: QQHZPQUHCAKSOL-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O3

Molecular Weight

  • 119.119
 
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Names and Synonyms

Name of Substance

  • Butyl nitrate

Synonyms

  • EINECS 213-172-9
  • UNII-00YK6AM7PG

Systematic Name

  • Butyl nitrate

Superlist Names

  • Butyl nitrate
  • Nitric acid, butyl ester

Registry Numbers

CAS Registry Number

  • 928-45-0

FDA UNII

  • 00YK6AM7PG

System Generated Number

  • 0000928450

Structure Descriptors

InChI

1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3

InChIKey

QQHZPQUHCAKSOL-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 133 deg C   EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 1120 mg/L 25 EXP
Vapor Pressure 8.3 mm Hg 25 EXP
Henry's Law Constant 0.00154 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.71E-12 cm3/molecule-sec 25 EXP

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