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Substance Name: Benzonitrile, 4-hexylsulfonyl-2,3,5,6-tetrachloro-
RN: 56916-68-8
InChIKey: RRYNAQHVYUEIAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl4-N-O2-S

Molecular Weight

  • 389.129
 
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Names and Synonyms

Synonyms

  • 4-Hexylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
  • BRN 2602752

Systematic Name

  • Benzonitrile, 4-hexylsulfonyl-2,3,5,6-tetrachloro-

Registry Numbers

CAS Registry Number

  • 56916-68-8

System Generated Number

  • 0056916688

Structure Descriptors

InChI

1S/C13H13Cl4NO2S/c1-2-3-4-5-6-21(19,20)13-11(16)9(14)8(7-18)10(15)12(13)17/h2-6H2,1H3

InChIKey

RRYNAQHVYUEIAX-UHFFFAOYSA-N

Smiles

c1(c(c(c(C#N)c(c1Cl)Cl)Cl)Cl)S(CCCCCC)(=O)=O

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.