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Substance Name: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, propionate
RN: 67205-35-0
InChIKey: OKFGRXMYBKUIKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H5-Cl3-N2-O

Molecular Weight

  • 303.5315
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67205-35-0

System Generated Number

  • 0067205350

Structure Descriptors

InChI

1S/C11H5Cl3N2O2/c1-2-7(17)18-11-6(4-16)8(12)5(3-15)9(13)10(11)14/h2H2,1H3

InChIKey

OKFGRXMYBKUIKX-UHFFFAOYSA-N

Smiles

CCC(=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.