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Substance Name: 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-
RN: 75990-59-9
InChIKey: UCTCCXOYMGQSJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-Cl3-O2

Molecular Weight

  • 295.592
 
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Names and Synonyms

Synonyms

  • 2,2-Dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-1-butanone
  • BRN 3611980

Systematic Name

  • 1-Butanone, 2,2-dimethyl-3-hydroxy-1-phenyl-4,4,4-trichloro-

Registry Numbers

CAS Registry Number

  • 75990-59-9

System Generated Number

  • 0075990599

Structure Descriptors

InChI

1S/C12H13Cl3O2/c1-11(2,10(17)12(13,14)15)9(16)8-6-4-3-5-7-8/h3-7,10,17H,1-2H3

InChIKey

UCTCCXOYMGQSJL-UHFFFAOYSA-N

Smiles

C(C(c1ccccc1)=O)([C@@H](C(Cl)(Cl)Cl)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 41, 1985.