Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Crotononitrile
RN: 4786-20-3
InChIKey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N

Molecular Formula

  • C4-H5-N

Molecular Weight

  • 67.0905
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Crotononitrile

Synonyms

  • 1-Cyanopropene
  • 1-Propenyl cyanide
  • 2-Butenenitrile
  • AI3-28717
  • beta-Methylacrylonitrile
  • Crotonic nitrile
  • Crotonique nitrile
  • Crotonique nitrile [French]
  • Crotonitrile
  • Crotonnitrile
  • Crotononitrile
  • EINECS 225-335-1
  • NSC 165574

Systematic Names

  • 2-Butenenitrile
  • Crotononitrile

Registry Numbers

CAS Registry Number

  • 4786-20-3

System Generated Number

  • 0004786203

Structure Descriptors

InChI

1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+

InChIKey

NKKMVIVFRUYPLQ-NSCUHMNNSA-N

Smiles

C(=C\C)\C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 272mg/kg (272mg/kg) 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. 37(4), Pg. 10, 1972.
guinea pig LDLo subcutaneous 230mg/kg (230mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
mouse LD50 oral 396mg/kg (396mg/kg) 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. 37(4), Pg. 10, 1972.
rabbit LDLo intravenous 60mg/kg (60mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
rat LD50 oral 501mg/kg (501mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(4), Pg. 10, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 120.5 deg C   EXP
log P (octanol-water) 0.620 (none)   EST
Water Solubility 2.50E+04 mg/L 25 EXP
Vapor Pressure 32 mm Hg 25 EXP
Henry's Law Constant 1.12E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.16E-12 cm3/molecule-sec 25 EST

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