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

Modify Date: 2025-08-25 12:35:48

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

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

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
InChIKey	ISLCZEPNQACFRU-NTCAYCPXSA-N
SMILES	CC(=CC(=O)c1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

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

1-(3-fluorophen...

CAS#:76691-35-5

N-(3-Trifluorom...

CAS#:15532-75-9

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 2
CAS#:76691-35-5 1-(3-fluorophen... CAS#:15532-75-9 N-(3-Trifluorom...
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2-Buten-1-one, 1-(3-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-

Names

Chemical & Physical Properties

Toxicological Information