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Substance Name: o-Tolunitrile, alpha-cyano-
RN: 3759-28-2
InChIKey: GKHSEDFDYXZGCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-N2

Molecular Weight

  • 142.16
 
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Names and Synonyms

Synonyms

  • (o-Cyanophenyl)acetonitrile
  • 2-Cyanobenzeneacetonitrile
  • 2-Cyanobenzyl cyanide
  • alpha-Cyano-o-tolunitrile
  • Benzeneacetonitrile, 2-cyano-
  • EINECS 223-167-3
  • Homophthalonitrile
  • o-Cyanobenzyl cyanide

Systematic Names

  • alpha,o-Toluenedicarbonitrile
  • o-Tolunitrile, alpha-cyano-

Registry Numbers

CAS Registry Number

  • 3759-28-2

System Generated Number

  • 0003759282

Structure Descriptors

InChI

1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2

InChIKey

GKHSEDFDYXZGCG-UHFFFAOYSA-N

Smiles

c1ccc(CC#N)c(c1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 286, 1953.