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Substance Name: Isobutyl nitrate
RN: 543-29-3
UNII: 356EF349VI
InChIKey: LNNXFUZKZLXPOF-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O3

Molecular Weight

  • 119.119
 
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Names and Synonyms

Name of Substance

  • Isobutyl nitrate

Synonyms

  • EINECS 208-842-2
  • UNII-356EF349VI

Systematic Name

  • Isobutyl nitrate

Registry Numbers

CAS Registry Number

  • 543-29-3

FDA UNII

  • 356EF349VI

System Generated Number

  • 0000543293

Structure Descriptors

InChI

1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

InChIKey

LNNXFUZKZLXPOF-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 123.4 deg C   EXP
log P (octanol-water) 2.160 (none)   EST
Water Solubility 1330 mg/L 25 EXP
Vapor Pressure 8.3 mm Hg 25 EXP
Henry's Law Constant 0.00225 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.20E-13 cm3/molecule-sec 22 EXP

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