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Substance Name: Benzonitrile, 4-(decylsulfonyl)-2,3,5,6-tetrachloro-
RN: 56957-81-4
InChIKey: HHVVIAYXQAOHCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-Cl4-N-O2-S

Molecular Weight

  • 445.2359
 
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Names and Synonyms

Synonyms

  • 4-(Decylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile
  • BRN 2605595

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56957-81-4

System Generated Number

  • 0056957814

Structure Descriptors

InChI

1S/C17H21Cl4NO2S/c1-2-3-4-5-6-7-8-9-10-25(23,24)17-15(20)13(18)12(11-22)14(19)16(17)21/h2-10H2,1H3

InChIKey

HHVVIAYXQAOHCC-UHFFFAOYSA-N

Smiles

CCCCCCCCCCS(=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.