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Substance Name: 1-Nitrobutane
RN: 627-05-4
UNII: 7R02589S2G
InChIKey: NALZTFARIYUCBY-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.12
 
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Names and Synonyms

Name of Substance

  • 1-Nitrobutane

Synonyms

  • 1-Nitrobutane
  • 4-01-00-00277 (Beilstein Handbook Reference)
  • AI3-00107
  • BRN 1743017
  • CCRIS 3089
  • EINECS 210-980-3
  • NSC 3648
  • UNII-7R02589S2G

Systematic Names

  • 1-Nitrobutane
  • Butane, 1-nitro-

Registry Numbers

CAS Registry Number

  • 627-05-4

FDA UNII

  • 7R02589S2G

System Generated Number

  • 0000627054

Structure Descriptors

InChI

1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3

InChIKey

NALZTFARIYUCBY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.13E+01 deg C   EXP
Boiling Point 153 deg C   EXP
log P (octanol-water) 1.47 (none)   EXP
Water Solubility 4600 mg/L 25 EXP
Vapor Pressure 3.79 mm Hg 25 EXP
Henry's Law Constant 1.19E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EXP

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