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Substance Name: Benzonitrile, 4-pentylsulfonyl-2,3,5,6-tetrachloro-
RN: 56916-64-4
InChIKey: QIWWTBJLBOJJSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-Cl4-N-O2-S

Molecular Weight

  • 375.102
 
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Names and Synonyms

Synonyms

  • 4-Pentylsulfonyl-2,3,5,6-tetrachlorobenzonitrile
  • BRN 2600700

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56916-64-4

System Generated Number

  • 0056916644

Structure Descriptors

InChI

1S/C12H11Cl4NO2S/c1-2-3-4-5-20(18,19)12-10(15)8(13)7(6-17)9(14)11(12)16/h2-5H2,1H3

InChIKey

QIWWTBJLBOJJSB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 237mg/kg (237mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.