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Substance Name: 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-
RN: 67205-49-6
InChIKey: YWMXKSRKXHVTLC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Cl3-N2-O

Molecular Weight

  • 303.5751
 
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Names and Synonyms

Synonyms

  • 4-Butoxy-2,5,6-trichloro-1,3-benzenedicarbonitrile
  • 4-Butoxy-2,5,6-trichloroisophthalonitrile
  • BRN 2663971

Systematic Name

  • 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-

Registry Numbers

CAS Registry Number

  • 67205-49-6

System Generated Number

  • 0067205496

Structure Descriptors

InChI

1S/C12H9Cl3N2O/c1-2-3-4-18-12-8(6-17)9(13)7(5-16)10(14)11(12)15/h2-4H2,1H3

InChIKey

YWMXKSRKXHVTLC-UHFFFAOYSA-N

Smiles

CCCCOc1c(c(c(c(c1Cl)Cl)C#N)Cl)C#N

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.