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Substance Name: Malononitrile, (3,4,5-trimethoxybenzylidene)-
RN: 5688-82-4
InChIKey: SHANJVNUXNVEJC-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N2-O3

Molecular Weight

  • 244.249
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzylidenemalononitrile
  • BRN 2218615
  • EINECS 227-155-9
  • NSC 125238

Systematic Names

  • ((3,4,5-Trimethoxyphenyl)methylene)malononitrile
  • Malononitrile, (3,4,5-trimethoxybenzylidene)-

Registry Numbers

CAS Registry Number

  • 5688-82-4

System Generated Number

  • 0005688824

Structure Descriptors

InChI

1S/C13H12N2O3/c1-16-11-5-9(4-10(7-14)8-15)6-12(17-2)13(11)18-3/h4-6H,1-3H3

InChIKey

SHANJVNUXNVEJC-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)\C=C(/C#N)C#N

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#07633,