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Substance Name: o-Cresol, 4-tert-butyl-6-chloro-alpha-(2,4-dichlorophenyl)-
RN: 23802-22-4
InChIKey: AHKRQWUDNKETCA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl3-O

Molecular Weight

  • 343.679
 
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Names and Synonyms

Synonyms

  • 2-(2',4'-Dichlorobenzyl)-6-chloro-4-t-butylphenol
  • 4-tert-Butyl-6-chloro-alpha-(2,4-dichlorophenyl)-o-cresol

Systematic Name

  • o-Cresol, 4-tert-butyl-6-chloro-alpha-(2,4-dichlorophenyl)-

Registry Numbers

CAS Registry Number

  • 23802-22-4

System Generated Number

  • 0023802224

Structure Descriptors

InChI

1S/C17H17Cl3O/c1-17(2,3)12-7-11(16(21)15(20)8-12)6-10-4-5-13(18)9-14(10)19/h4-5,7-9,21H,6H2,1-3H3

InChIKey

AHKRQWUDNKETCA-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1Cc1c(cc(cc1)Cl)Cl)C(C)(C)C)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #3984482,