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Substance Name: alpha-Acetylphenylacetonitrile
RN: 4468-48-8
InChIKey: KHNWFTMUBKJWRZ-UHFFFAOYSA-N

Molecular Formula

  • C10-H9-N-O

Molecular Weight

  • 159.1871
 
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Names and Synonyms

Name of Substance

  • alpha-Acetylphenylacetonitrile

Synonyms

  • 1-Cyano-1-phenyl-2-propanone
  • 2-Phenylacetoacetonitrile
  • 4-10-00-02776 (Beilstein Handbook Reference)
  • Acetoacetonitrile, alpha-phenyl-
  • Acetonitrile, 2-acetyl-2-phenyl-
  • Acetonitrile, phenylaceto
  • AI3-16132
  • Alpha Acetyl phenyl acetonitrile
  • alpha-Aceto-alpha-cyanotoluene
  • alpha-Acetylbenzeneacetonitrile
  • alpha-Phenylacetoacetonitrile
  • alpha-Tolunitrile, alpha-acetyl-
  • BRN 0743161
  • EINECS 224-737-4
  • NSC 11777
  • NSC 25183
  • NSC 55206
  • Phenyl aceto-acetonitrile
  • USAF PE-1

Systematic Names

  • Acetoacetonitrile, 2-phenyl- (8CI)
  • Acetonitrile, 2-acetyl-2-phenyl-
  • alpha-Acetylphenylacetonitrile
  • Benzeneacetonitrile, alpha-acetyl-

Registry Numbers

CAS Registry Number

  • 4468-48-8

Other Registry Number

  • 128252-19-7

System Generated Number

  • 0004468488

Structure Descriptors

InChI

1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3

InChIKey

KHNWFTMUBKJWRZ-UHFFFAOYSA-N

Smiles

CC(=O)C(C#N)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,