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Substance Name: Benzonitrile, 4-cyanoethylsulfonyl-2,3,5,6-tetrachloro-
RN: 56916-60-0
InChIKey: JNWPMAKJHMMAIG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H4-Cl4-N2-O2-S

Molecular Weight

  • 358.032
 
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Names and Synonyms

Synonyms

  • 4-Cyanoethylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
  • BRN 2600617

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56916-60-0

System Generated Number

  • 0056916600

Structure Descriptors

InChI

1S/C10H4Cl4N2O2S/c11-6-5(4-16)7(12)9(14)10(8(6)13)19(17,18)3-1-2-15/h1,3H2

InChIKey

JNWPMAKJHMMAIG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.