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Substance Name: 2-Nitrobutanol
RN: 609-31-4
UNII: 830A2921CB
InChIKey: MHIHRIPETCJEMQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O3

Molecular Weight

  • 119.119
 
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Names and Synonyms

Name of Substance

  • 2-Nitrobutanol

Synonyms

  • 2-Nitro-1-butanol
  • 2-Nitrobutanol
  • AI3-04493
  • Caswell No. 601
  • CCRIS 5047
  • EINECS 210-188-8
  • EPA Pesticide Chemical Code 056901
  • NSC 3635
  • UNII-830A2921CB

Systematic Names

  • 1-Butanol, 2-nitro-
  • 2-Nitrobutan-1-ol

Registry Numbers

CAS Registry Number

  • 609-31-4

FDA UNII

  • 830A2921CB

System Generated Number

  • 0000609314

Structure Descriptors

InChI

1S/C4H9NO3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3

InChIKey

MHIHRIPETCJEMQ-UHFFFAOYSA-N

Smiles

[N+]([C@@H](CC)CO)(=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.70E+01 deg C   EXP
log P (octanol-water) -0.100 (none)   EST
Water Solubility 5.40E+04 mg/L 20 EXP
Vapor Pressure 0.047 mm Hg 25 EST
Henry's Law Constant 3.60E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.03E-12 cm3/molecule-sec 25 EST

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