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Substance Name: Butyrophenone, 2-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-
RN: 100700-42-3
InChIKey: UJWHSVKCFXWUQT-UHFFFAOYSA-N

Molecular Formula

  • C11-H7-Cl-F6-O2

Molecular Weight

  • 320.615
 
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Names and Synonyms

Synonyms

  • 1-Butanone, 2-chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-
  • 2-Chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1-butanone

Systematic Name

  • Butyrophenone, 2-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 100700-42-3

System Generated Number

  • 0100700423

Structure Descriptors

InChI

1S/C11H7ClF6O2/c12-8(7(19)6-4-2-1-3-5-6)9(20,10(13,14)15)11(16,17)18/h1-5,8,20H

InChIKey

UJWHSVKCFXWUQT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08926,