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

Suppliers

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

  • Methyl 1-[(4-methylphenyl)sulfonyl]-2-phenyl-1H-indole-5-carboxylate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 1,5-Bis(trifluoromethyl)-2,3-difluorobenzene
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine