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Substance Name: Butyrophenone, 3-chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
RN: 100700-44-5
InChIKey: OOIROORZDLJFDN-UHFFFAOYSA-N

Molecular Formula

  • C11-H6-F6-Cl-N-O3

Molecular Weight

  • 349.6134
 
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Names and Synonyms

Synonyms

  • 3-Chloro-1-(3-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1-butanone
  • 3-Chloro-3'-nitro-4,4,4-trifluoro-3-trifluoromethylbutyrophenone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100700-44-5

System Generated Number

  • 0100700445

Structure Descriptors

InChI

1S/C11H6ClF6NO3/c12-9(10(13,14)15,11(16,17)18)5-8(20)6-2-1-3-7(4-6)19(21)22/h1-4H,5H2

InChIKey

OOIROORZDLJFDN-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])C(=O)CC(C(F)(F)F)(C(F)(F)F)Cl

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#08474,