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Substance Name: 3,4-Epoxycyclohexanecarbonitrile
RN: 141-40-2
UNII: T31VB6C780
InChIKey: MBOPNDFEIXMJOS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H9-N-O

Molecular Weight

  • 123.154
 
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Names and Synonyms

Name of Substance

  • 3,4-Epoxycyclohexanecarbonitrile

Synonyms

  • 3,4-Epoxycyanocyclohexane
  • 3,4-Epoxycyclohexane-carbonitrile
  • 4-Cyanocyclohexene oxide
  • AI3-26364
  • Cyclohexanecarbonitrile, 3,4-epoxy-
  • UNII-T31VB6C780

Systematic Name

  • 7-Oxabicyclo(4.1.0)heptane-3-carbonitrile

Registry Numbers

CAS Registry Number

  • 141-40-2

FDA UNII

  • T31VB6C780

System Generated Number

  • 0000141402

Structure Descriptors

InChI

1S/C7H9NO/c8-4-5-1-2-6-7(3-5)9-6/h5-7H,1-3H2

InChIKey

MBOPNDFEIXMJOS-UHFFFAOYSA-N

Smiles

O1[C@@H]2C[C@@H](C#N)CC[C@@H]12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 990uL/kg (0.99mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 1230uL/kg (1.23mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.