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Substance Name: Cinnamonitrile, p-nitro-
RN: 27892-88-2
InChIKey: HLFGEWUHBJJYKR-OWOJBTEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-N2-O2

Molecular Weight

  • 174.158
 
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Names and Synonyms

Synonyms

  • 3-(4-Nitrophenyl)-2-propenenitrile
  • 4-Nitrocinnamonitrile
  • p-Nitrocinnamonitrile

Systematic Names

  • 2-Propenenitrile, 3-(4-nitrophenyl)- (9CI)
  • Cinnamonitrile, p-nitro-

Registry Numbers

CAS Registry Number

  • 27892-88-2

System Generated Number

  • 0027892882

Structure Descriptors

InChI

1S/C9H6N2O2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h1-6H/b2-1+

InChIKey

HLFGEWUHBJJYKR-OWOJBTEDSA-N

Smiles

c1(ccc(\C=C\C#N)cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 174, 1983.