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Substance Name: 1,4-Benzenedicarbonitrile, 2-chloro-
RN: 1897-47-8
InChIKey: FUXVXOPFTHRBNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H3-Cl-N2

Molecular Weight

  • 162.579
 
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Names and Synonyms

Synonyms

  • 2-Chloro-1,4-benzenedicarbonitrile
  • 2-Chloroterephthalodinitrile
  • 2-Chloroterephthalonitrile
  • BRN 2441887
  • Chloroterephthalonitrile

Systematic Names

  • 1,4-Benzenedicarbonitrile, 2-chloro-
  • Terephthalonitrile, chloro- (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 1897-47-8

System Generated Number

  • 0001897478

Structure Descriptors

InChI

1S/C8H3ClN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H

InChIKey

FUXVXOPFTHRBNH-UHFFFAOYSA-N

Smiles

c1cc(C#N)c(cc1C#N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.