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Substance Name: Butanenitrile
RN: 109-74-0
UNII: O3V36V0W0M
InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C4-H7-N

Molecular Weight

  • 69.1063
 
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Names and Synonyms

Name of Substance

  • Butanenitrile
  • Butyronitrile
  • n-Butyronitrile

Synonyms

  • 1-Cyanopropane
  • 4-02-00-00806 (Beilstein Handbook Reference)
  • AI3-08778
  • BRN 1361452
  • Butane nitrile
  • Butanenitrile
  • Butyric acid nitrile
  • Butyronitrile
  • Butyrylonitrile
  • EC 203-700-6
  • EINECS 203-700-6
  • HSDB 5013
  • n-Butanenitrile
  • n-Butyronitrile
  • n-Propyl cyanide
  • NSC 8412
  • Propyl cyanide
  • Propylkyanid
  • Propylkyanid [Czech]
  • UNII-O3V36V0W0M

Systematic Names

  • Butanenitrile
  • Butyronitrile

Superlist Names

  • Butanenitrile
  • Butyronitrile
  • Butyronitrile [UN2411] [Flammable liquid]
  • n-Butyronitrile
  • UN2411

Registry Numbers

CAS Registry Number

  • 109-74-0

FDA UNII

  • O3V36V0W0M

System Generated Number

  • 0000109740

Structure Descriptors

InChI

1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

InChIKey

KVNRLNFWIYMESJ-UHFFFAOYSA-N

Smiles

C(CC)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 20mg/kg (20mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
frog LDLo subcutaneous 3100mg/kg (3100mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LDLo skin 100mg/kg (100mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
guinea pig LDLo subcutaneous 100mg/kg (100mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
mouse LC50 inhalation 249ppm/1H (249ppm) LIVER: OTHER CHANGES Clinical Toxicology. Vol. 18, Pg. 991, 1981.
mouse LD50 intraperitoneal 38mg/kg (38mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 59, Pg. 589, 1981.
mouse LD50 oral 27689ug/kg (27.689mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.
rabbit LD50 skin 500uL/kg (0.5mL/kg)   Union Carbide Data Sheet. Vol. 5/17/1960,
rabbit LDLo intravenous 980mg/kg (980mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
rabbit LDLo oral 50mg/kg (50mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LDLo subcutaneous 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LCLo inhalation 1000ppm/4H (1000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 intraperitoneal 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4873, 1982.
rat LD50 oral 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4873, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.12E+02 deg C   EXP
Boiling Point 117.6 deg C   EXP
log P (octanol-water) 0.53 (none)   EXP
Water Solubility 3.30E+04 mg/L 25 EXP
Vapor Pressure 19.5 mm Hg 25 EXP
Henry's Law Constant 5.23E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.56E-13 cm3/molecule-sec 25 EST

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