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Substance Name: n-Butyl nitrite
RN: 544-16-1
UNII: 44P8QG0F3T
InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N

Classification Codes

  • Cardiovascular Agents
  • Human Data
  • Mutation Data
  • Vasodilator Agents

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.1201
 
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Names and Synonyms

Name of Substance

  • n-Butyl nitrite

Synonyms

  • 4-01-00-01523 (Beilstein Handbook Reference)
  • AI3-15310
  • BRN 1701036
  • Butyl nitrite
  • CCRIS 838
  • EINECS 208-862-1
  • n-Butyl nitrite
  • NCI-C56553
  • Nitrous acid, n-butyl ester
  • NSC 8426
  • UNII-44P8QG0F3T

Systematic Names

  • Butyl nitrite
  • Nitrous acid, butyl ester

Registry Numbers

CAS Registry Number

  • 544-16-1

FDA UNII

  • 44P8QG0F3T

System Generated Number

  • 0000544161

Structure Descriptors

InChI

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

InChIKey

JQJPBYFTQAANLE-UHFFFAOYSA-N

Smiles

C(CCC)ON=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 153mg/kg (153mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Annals of Internal Medicine. Vol. 92, Pg. 570, 1980.
mouse LC50 inhalation 567ppm/1H (567ppm) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Fundamental and Applied Toxicology. Vol. 1, Pg. 448, 1981.
mouse LD50 intraperitoneal 158mg/kg (158mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 oral 171mg/kg (171mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LIVER: OTHER CHANGES
Research Communications in Substances Abuse. Vol. 3, Pg. 233, 1982.
rat LC50 inhalation 420ppm/4H (420ppm) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Fundamental and Applied Toxicology. Vol. 8, Pg. 101, 1987.
rat LD50 oral 83mg/kg (83mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
JAT, Journal of Applied Toxicology. Vol. 1, Pg. 30, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 78 deg C   EXP
log P (octanol-water) 2.350 (none)   EST
Water Solubility 1120 mg/L 25 EST
Vapor Pressure 81.3 mm Hg 25 EST
Henry's Law Constant 1.53E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.72E-12 cm3/molecule-sec 25 EXP

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