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Substance Name: Allyl cyanide
RN: 109-75-1
UNII: 527U1WJJ18
InChIKey: SJNALLRHIVGIBI-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C4-H5-N

Molecular Weight

  • 67.0905
 
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Names and Synonyms

Name of Substance

  • Allyl cyanide

Synonyms

  • 1-Butene-4-nitrile
  • 2-Butenol-1
  • 3-Butenonitrile
  • 3-Butenylnitrile
  • 3-Cyano-1-propene
  • 3-Cyanopropene
  • Acetonitrile, vinyl-
  • AI3-18438
  • Allyl cyanide
  • Allylkyanid
  • Allylkyanid [Czech]
  • Allylnitrile
  • beta-Butenonitrile
  • EC 203-701-1
  • EINECS 203-701-1
  • NSC 2583
  • Propene-3-nitrile
  • TL 350
  • UNII-527U1WJJ18
  • Vinylacetonitrile

Systematic Names

  • 3-Butenenitrile
  • But-3-enenitrile

Registry Numbers

CAS Registry Number

  • 109-75-1

FDA UNII

  • 527U1WJJ18

System Generated Number

  • 0000109751

Structure Descriptors

InChI

1S/C4H5N/c1-2-3-4-5/h2H,1,3H2

InChIKey

SJNALLRHIVGIBI-UHFFFAOYSA-N

Smiles

C(C=C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 2500mg/m3/4H (2500mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(4), Pg. 36, 1969.
guinea pig LD50 subcutaneous 132mg/kg (132mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: TREMOR
Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
mouse LD intraperitoneal > 112mg/kg (112mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicological Sciences. Vol. 22, Pg. 337, 1997.
rabbit LD50 skin 1410uL/kg (1.41mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 500ppm/4H (500ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 115mg/kg (115mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 subcutaneous 150mg/kg (150mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 18, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.70E+01 deg C   EXP
Boiling Point 119 deg C   EXP
log P (octanol-water) 0.4 (none)   EXP
Water Solubility 3.37E+04 mg/L 25 EST
Vapor Pressure 18.5 mm Hg 25 EXP
Henry's Law Constant 4.01E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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