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Substance Name: Acetonitrile, (4-bromo-3-oxo-5-phenyl-2(3H)-furanylidene)-
RN: 139266-48-1
InChIKey: MEZKPDPELGTQJO-RMKNXTFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H6-Br-N-O2

Molecular Weight

  • 276.0884
 
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Names and Synonyms

Synonyms

  • (4-Bromo-3-oxo-5-phenyl-2(3H)-furanylidene)acetonitrile
  • BRN 5432185

Systematic Name

  • Acetonitrile, (4-bromo-3-oxo-5-phenyl-2(3H)-furanylidene)-

Registry Numbers

CAS Registry Number

  • 139266-48-1

System Generated Number

  • 0139266481

Structure Descriptors

InChI

1S/C12H6BrNO2/c13-10-11(15)9(6-7-14)16-12(10)8-4-2-1-3-5-8/h1-6H/b9-6+

InChIKey

MEZKPDPELGTQJO-RMKNXTFCSA-N

Smiles

c1ccc(cc1)C2=C(C(=O)/C(=C\C#N)/O2)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.