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Substance Name: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate
RN: 67205-43-0
InChIKey: PXCRAZNBLJROGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-Cl3-N3-O2

Molecular Weight

  • 346.6
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-butylcarbamate
  • 4-Hydroxy-2,5,6-trichloroisophthalonitrile, 4-butylcarbamate
  • BRN 2674223

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67205-43-0

System Generated Number

  • 0067205430

Structure Descriptors

InChI

1S/C13H10Cl3N3O2/c1-2-3-4-19-13(20)21-12-8(6-18)9(14)7(5-17)10(15)11(12)16/h2-4H2,1H3,(H,19,20)

InChIKey

PXCRAZNBLJROGB-UHFFFAOYSA-N

Smiles

CCCCNC(=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.