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Substance Name: Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester
RN: 67205-39-4
InChIKey: BSXVUWXMTQVJPZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Cl3-N2-O2

Molecular Weight

  • 345.6119
 
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Names and Synonyms

Synonyms

  • 4,6-Dicyano-2,3,5-trichlorophenyl hexanoate
  • BRN 2672225

Systematic Name

  • Hexanoic acid, 4,6-dicyano-2,3,5-trichlorophenyl ester

Registry Numbers

CAS Registry Number

  • 67205-39-4

System Generated Number

  • 0067205394

Structure Descriptors

InChI

1S/C14H11Cl3N2O2/c1-2-3-4-5-10(20)21-14-9(7-19)11(15)8(6-18)12(16)13(14)17/h2-5H2,1H3

InChIKey

BSXVUWXMTQVJPZ-UHFFFAOYSA-N

Smiles

CCCCCC(=O)Oc1c(c(c(c(c1Cl)Cl)C#N)Cl)C#N

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.