(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methyl-prop-2-en-1-one

Modify Date: 2024-04-03 18:34:07

(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methyl-prop-2-en-1-one Structure
(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methyl-prop-2-en-1-one structure
Common Name (E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methyl-prop-2-en-1-one
CAS Number 76880-22-3 Molecular Weight 358.83700
Density 1.279g/cm3 Boiling Point 492.8ºC at 760 mmHg
Molecular Formula C20H20ClFN2O Melting Point N/A
MSDS N/A Flash Point 251.8ºC

 Names

Name (E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.279g/cm3
Boiling Point 492.8ºC at 760 mmHg
Molecular Formula C20H20ClFN2O
Molecular Weight 358.83700
Flash Point 251.8ºC
Exact Mass 358.12500
PSA 23.55000
LogP 4.39070
Index of Refraction 1.632

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD5573000
CHEMICAL NAME :
2-Propen-1-one, 3-(4-(2-chlorophenyl)-1-piperazinyl)-1-(4-fluoropheny l)-2-methyl-
CAS REGISTRY NUMBER :
76880-22-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H20-Cl-F-N2-O
MOLECULAR WEIGHT :
358.87

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 :
800 mg/kg
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
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

~%

(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methyl-prop-2-en-1-one Structure

(E)-3-[4-(2-chl...

CAS#:76880-22-3

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

 Synonyms

2-Propen-1-one,3-(4-(2-chlorophenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
3-(4-(2-Chlorophenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-2-propen-1-one
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