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Substance Name: Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, azine
RN: 101221-66-3
InChIKey: OCYOZXHRTYHUGG-RLCVYHGHSA-N

Molecular Formula

  • C22-H16-F12-N2-O2

Molecular Weight

  • 568.356
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyrophenone azine
  • 4,4,4-Trifluoro-3-hydroxy-3-trifluoromethyl butyrophenone azine

Systematic Name

  • Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, azine

Registry Numbers

CAS Registry Number

  • 101221-66-3

System Generated Number

  • 0101221663

Structure Descriptors

InChI

1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2/b35-15-,36-16-

InChIKey

OCYOZXHRTYHUGG-RLCVYHGHSA-N

Smiles

C(C\C(c1ccccc1)=N\N=C(\CC(C(F)(F)F)(C(F)(F)F)O)c1ccccc1)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08086,