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Substance Name: 4-Cyanocyclohexene
RN: 100-45-8
UNII: D65GN9AVCH
InChIKey: GYBNBQFUPDFFQX-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N

Molecular Weight

  • 107.155
 
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Names and Synonyms

Name of Substance

  • 4-Cyanocyclohexene

Synonyms

  • 1-Cyano-3-cyclohexene
  • 3-Cyclohexenecarbonitrile
  • 3-Cyclohexenyl cyanide
  • 3-Cyklohexenylkyanid
  • 3-Cyklohexenylkyanid [Czech]
  • 4-09-00-00116 (Beilstein Handbook Reference)
  • 4-Cyanocyclohexene
  • AI3-08635
  • BRN 0636074
  • Cyclohex-3-enenitrile
  • NSC 7407
  • UNII-D65GN9AVCH

Systematic Name

  • 3-Cyclohexene-1-carbonitrile

Registry Numbers

CAS Registry Number

  • 100-45-8

FDA UNII

  • D65GN9AVCH

System Generated Number

  • 0000100458

Structure Descriptors

InChI

1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2

InChIKey

GYBNBQFUPDFFQX-UHFFFAOYSA-N

Smiles

C1C[C@@H](CC=C1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 9460uL/kg (9.46mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 124ppm/4H (124ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 460mg/kg (460mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.