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Substance Name: 4-Hydroxy-2,5,6-trichloroisophthalonitrile
RN: 28343-61-5
UNII: IQJ3P52AEE
InChIKey: MDQKYGOECVSPIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H-Cl3-N2-O

Molecular Weight

  • 247.468
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-2,5,6-trichloroisophthalonitrile

Synonyms

  • 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile
  • 4-Hydroxy-2,5,6-trichloroisophthalonitrile
  • BRN 2653044
  • UNII-IQJ3P52AEE

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 28343-61-5

FDA UNII

  • IQJ3P52AEE

System Generated Number

  • 0028343615

Structure Descriptors

InChI

1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

Smiles

c1(c(c(c(Cl)c(c1O)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.