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Substance Name: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, butyrate
RN: 67205-36-1
InChIKey: KKFLICRKUISAJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H7-Cl3-N2-O

Molecular Weight

  • 317.5583
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, butyrate
  • 4-Hydroxy-2,5,6-trichloroisophthalonitrile, butyrate

Systematic Name

  • 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, butyrate

Registry Numbers

CAS Registry Number

  • 67205-36-1

System Generated Number

  • 0067205361

Structure Descriptors

InChI

1S/C12H7Cl3N2O2/c1-2-3-8(18)19-12-7(5-17)9(13)6(4-16)10(14)11(12)15/h2-3H2,1H3

InChIKey

KKFLICRKUISAJV-UHFFFAOYSA-N

Smiles

CCCC(=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 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.