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Substance Name: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isobutyrate
RN: 67205-37-2
InChIKey: QINGBQITKOSWIZ-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, isobutyrate
  • 4-Hydroxy-2,5,6-trichloroisophthalonitrile, isobutyrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67205-37-2

System Generated Number

  • 0067205372

Structure Descriptors

InChI

1S/C12H7Cl3N2O2/c1-5(2)12(18)19-11-7(4-17)8(13)6(3-16)9(14)10(11)15/h5H,1-2H3

InChIKey

QINGBQITKOSWIZ-UHFFFAOYSA-N

Smiles

CC(C)C(=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 237mg/kg (237mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.