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Substance Name: Malononitrile, (o-nitrocinnamylidene)-
RN: 41122-42-3
InChIKey: KWNBVBVINZVSFN-ZZXKWVIFSA-N

Molecular Formula

  • C12-H7-N3-O2

Molecular Weight

  • 225.206
 
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Names and Synonyms

Synonyms

  • (2-Nitrocinnamylidene)malononitrile
  • BRN 1969064
  • o-(Nitrocinnamylidene)malononitrile

Systematic Name

  • Malononitrile, (o-nitrocinnamylidene)-

Registry Numbers

CAS Registry Number

  • 41122-42-3

System Generated Number

  • 0041122423

Structure Descriptors

InChI

1S/C12H7N3O2/c13-8-10(9-14)4-3-6-11-5-1-2-7-12(11)15(16)17/h1-7H/b6-3+

InChIKey

KWNBVBVINZVSFN-ZZXKWVIFSA-N

Smiles

c1(c(\C=C\C=C(\C#N)C#N)cccc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07675,