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

Modify Date: 2025-09-23 23:19:58

2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl- Structure
2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl- structure
 Common Name 2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl-
CAS Number 76691-03-7 Molecular Weight 324.39200
Density 1.171g/cm3 Boiling Point 472.9ºC at 760 mmHg
Molecular Formula C20H21FN2O Melting Point N/A
MSDS N/A Flash Point 239.8ºC

 Names

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

 Chemical & Physical Properties

Density 1.171g/cm3
Boiling Point 472.9ºC at 760 mmHg
Molecular Formula C20H21FN2O
Molecular Weight 324.39200
Flash Point 239.8ºC
Exact Mass 324.16400
PSA 23.55000
LogP 3.73730
Index of Refraction 1.588
InChIKey BFGZDIHKMAAXSN-FOCLMDBBSA-N
SMILES CC(=CC(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9936200
CHEMICAL NAME :
2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl-
CAS REGISTRY NUMBER :
76691-03-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H21-F-N2-O
MOLECULAR WEIGHT :
324.43

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-(4-Fluorophenyl)piperazine structure

1-(4-Fluorophen...

CAS#:2252-63-3

1-Phenylbutane-1,3-dione structure

1-Phenylbutane-...

CAS#:93-91-4

~%

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

2-Buten-1-one, ...

CAS#:76691-03-7

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#:76691-03-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl->> amp version: 2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl-

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