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

Modify Date: 2025-09-21 20:57:30

(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

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

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
InChIKey	NXJRWRJFMYUQSD-FYWRMAATSA-N
SMILES	CC(=CC(=O)c1cccc(F)c1)N1CCN(c2ccc(F)cc2)CC1

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

1-(3-fluorophen...

CAS#:76691-35-5

1-(4-Fluorophen...

CAS#:2252-63-3

(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 2
CAS#:76691-35-5 1-(3-fluorophen... CAS#:2252-63-3 1-(4-Fluorophen...
DownStream 0

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

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

Names

Chemical & Physical Properties

Toxicological Information