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Substance Name: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate
RN: 73688-95-6
InChIKey: HHIPYFPMSYNZCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Cl3-N2-O

Molecular Weight

  • 345.6119
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73688-95-6

System Generated Number

  • 0073688956

Structure Descriptors

InChI

1S/C14H11Cl3N2O2/c1-7(2)3-4-10(20)21-14-9(6-19)11(15)8(5-18)12(16)13(14)17/h7H,3-4H2,1-2H3

InChIKey

HHIPYFPMSYNZCU-UHFFFAOYSA-N

Smiles

CC(C)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 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.