2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

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Names

[ CAS No. ]:
76691-09-3

[ Name ]:
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

Chemical & Physical Properties

[ Density]:
1.263g/cm3

[ Boiling Point ]:
482.9ºC at 760 mmHg

[ Molecular Formula ]:
C21H20F4N2O

[ Molecular Weight ]:
392.39000

[ Flash Point ]:
245.9ºC

[ Exact Mass ]:
392.15100

[ PSA ]:
23.55000

[ LogP ]:
4.75610

[ Index of Refraction ]:
1.546

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9936600
CHEMICAL NAME :
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1 -piperazinyl)-
CAS REGISTRY NUMBER :
76691-09-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H20-F4-N2-O
MOLECULAR WEIGHT :
392.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 19,695,1980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(3-fluorophenyl)butane-1,3-dione
  • N-(3-Trifluoromethylphenyl)piperazine

DownStream

Related Compounds

  • 3-Ethyl-3-azabicyclo[3.2.1]octan-8-ol
  • 3-Ethyl-3-azabicyclo[3.2.1]octan-8-one
  • 2-(Butylthio)-1-(2-fluorophenyl)ethan-1-one
  • 1-[1-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
  • N1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethane-1,2-diamine hydrochloride
  • Methyl 5-(1-chloroethyl)furan-2-carboxylate
  • N-{2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}-2-(2,4,6-trimethylphenoxy)acetamide
  • 3-(3-Bromopropoxy)prop-1-ene
  • 3-(1-aminoethyl)-N,N-diethylbenzenesulfonamide
  • N-cyclopropyl-N-(2-hydroxyethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
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