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Substance Name: Benzonitrile, 4-((4-chlorobutyl)sulfonyl)-2,3,5,6-tetrachloro-
RN: 56916-65-5
InChIKey: DOCLKAQOQGPDDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-Cl5-N-O2-S

Molecular Weight

  • 395.5202
 
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Names and Synonyms

Synonyms

  • 4-((4-Chlorobutyl)sulfonyl)-2,3,5,6-tetrachlorobenzonitrile
  • BRN 2602251

Systematic Name

  • Benzonitrile, 4-((4-chlorobutyl)sulfonyl)-2,3,5,6-tetrachloro-

Registry Numbers

CAS Registry Number

  • 56916-65-5

System Generated Number

  • 0056916655

Structure Descriptors

InChI

1S/C11H8Cl5NO2S/c12-3-1-2-4-20(18,19)11-9(15)7(13)6(5-17)8(14)10(11)16/h1-4H2

InChIKey

DOCLKAQOQGPDDM-UHFFFAOYSA-N

Smiles

C(CCCl)CS(=O)(=O)c1c(c(c(c(c1Cl)Cl)C#N)Cl)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.