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Substance Name: 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-
RN: 1929-68-6
InChIKey: FWKGAQNOJROOTN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C8-Cl-F3-N2
  • C8-H-Cl-F3-N2

Molecular Weight

  • 216.549
 
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Names and Synonyms

Synonyms

  • 3-Chloro-2,5,6-trifluoro-1,4-benzenedicarbonitrile
  • 3-Chloro-2,5,6-trifluoroterephthalonitrile

Systematic Name

  • 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-

Registry Numbers

CAS Registry Number

  • 1929-68-6

System Generated Number

  • 0001929686

Structure Descriptors

InChI

1S/C8ClF3N2/c9-5-3(1-13)7(11)8(12)4(2-14)6(5)10

InChIKey

FWKGAQNOJROOTN-UHFFFAOYSA-N

Smiles

C(#N)c1c(c(c(c(c1F)Cl)C#N)F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.