(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one

Modify Date: 2024-01-12 13:06:40

(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one Structure
(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one structure
 Common Name (Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one
CAS Number 76691-08-2 Molecular Weight 342.38200
Density 1.217g/cm3 Boiling Point 481ºC at 760 mmHg
Molecular Formula C20H20F2N2O Melting Point N/A
MSDS N/A Flash Point 244.7ºC

 Names

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

 Chemical & Physical Properties

Density 1.217g/cm3
Boiling Point 481ºC at 760 mmHg
Molecular Formula C20H20F2N2O
Molecular Weight 342.38200
Flash Point 244.7ºC
Exact Mass 342.15400
PSA 23.55000
LogP 3.87640
Index of Refraction 1.578

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9935600
CHEMICAL NAME :
2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(4-fluorophenyl)-1-piperaziny l)-
CAS REGISTRY NUMBER :
76691-08-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H20-F2-N2-O
MOLECULAR WEIGHT :
342.42

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

1-(4-Fluorophenyl)piperazine structure

1-(4-Fluorophen...

CAS#:2252-63-3

~%

(Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one Structure

(Z)-1-(3-fluoro...

CAS#:76691-08-2

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#:76691-08-2 MSDS, density, melting point, boiling point, structure, etc. Its name is (Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one>> amp version: (Z)-1-(3-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]but-2-en-1-one

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