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Substance Name: Methallyl cyanide
RN: 4786-19-0
UNII: MJF04I7OGH
InChIKey: OIQDAVBXDLGCID-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H7-N

Molecular Weight

  • 81.1173
 
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Names and Synonyms

Name of Substance

  • Methallyl cyanide

Synonyms

  • 3-Methyl-3-butenenitrile
  • 3-Methyl-3-butennitril
  • 3-Methyl-3-butennitril [Czech]
  • 3-Methyl-3-butenonitrile
  • 4-02-00-01550 (Beilstein Handbook Reference)
  • BRN 0506092
  • Methallyl cyanide
  • Methallylkyanid
  • Methallylkyanid [Czech]
  • NSC 163366
  • UNII-MJF04I7OGH

Systematic Name

  • 3-Butenenitrile, 3-methyl-

Registry Numbers

CAS Registry Number

  • 4786-19-0

FDA UNII

  • MJF04I7OGH

System Generated Number

  • 0004786190

Structure Descriptors

InChI

1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3

InChIKey

OIQDAVBXDLGCID-UHFFFAOYSA-N

Smiles

C(C(C)=C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2830uL/kg (2.83mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 1000ppm/4H (1000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 540mg/kg (540mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.