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Substance Name: Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
RN: 100700-41-2
InChIKey: IMEGKGCTJXHJFZ-UHFFFAOYSA-N

Molecular Formula

  • C11-H6-Cl-F6-N-O4

Molecular Weight

  • 365.612
 
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Names and Synonyms

Synonyms

  • 1-(4-Chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-1-butanone
  • 1-Butanone, 1-(4-chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-

Systematic Name

  • Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-

Registry Numbers

CAS Registry Number

  • 100700-41-2

System Generated Number

  • 0100700412

Structure Descriptors

InChI

1S/C11H6ClF6NO4/c12-6-2-1-5(3-7(6)19(22)23)8(20)4-9(21,10(13,14)15)11(16,17)18/h1-3,21H,4H2

InChIKey

IMEGKGCTJXHJFZ-UHFFFAOYSA-N

Smiles

C(CC(c1cc(c(Cl)cc1)[N+](=O)[O-])=O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08888,