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

Modify Date: 2023-01-24 22:26:38

2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)- Structure
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)- structure
 Common Name 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
CAS Number 76691-09-3 Molecular Weight 392.39000
Density 1.263g/cm3 Boiling Point 482.9ºC at 760 mmHg
Molecular Formula C21H20F4N2O Melting Point N/A
MSDS N/A Flash Point 245.9ºC

 Names

Name 1-(3-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one

 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

1-(3-fluorophenyl)butane-1,3-dione structure

1-(3-fluorophen...

CAS#:76691-35-5

N-(3-Trifluoromethylphenyl)piperazine structure

N-(3-Trifluorom...

CAS#:15532-75-9

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

2-Buten-1-one, ...

CAS#:76691-09-3

Literature: Pratap, Ram; Gupta, R. C.; Srimal, R. C.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 8 p. 695 - 698

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:76691-09-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)->> amp version: 2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

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