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Substance Name: 1,3-Benzenedicarbonitrile, 4-bromo-
RN: 22433-89-2
InChIKey: WQMGDEDMARMXQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H3-Br-N2

Molecular Weight

  • 207.03
 
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Names and Synonyms

Synonyms

  • 4-Bromo-1,3-benzenedicarbonitrile
  • 4-Bromoisophthalonitrile
  • BRN 2575701

Systematic Names

  • 1,3-Benzenedicarbonitrile, 4-bromo-
  • Isophothalonitrile, 4-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 22433-89-2

System Generated Number

  • 0022433892

Structure Descriptors

InChI

1S/C8H3BrN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H

InChIKey

WQMGDEDMARMXQE-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)Br)C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.