3-[4-(bis(2-fluoroethyl)amino)phenyl]-2-oxo-propanoic acid

Modify Date: 2025-09-13 12:41:05

3-[4-(bis(2-fluoroethyl)amino)phenyl]-2-oxo-propanoic acid structure	Common Name	3-[4-(bis(2-fluoroethyl)amino)phenyl]-2-oxo-propanoic acid
	CAS Number	4252-36-2	Molecular Weight	271.26000
	Density	1.277g/cm3	Boiling Point	423.3ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₅F₂NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	209.8ºC

Name	3-[4-[bis(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid

Density	1.277g/cm3
Boiling Point	423.3ºC at 760 mmHg
Molecular Formula	C₁₃H₁₅F₂NO₃
Molecular Weight	271.26000
Flash Point	209.8ºC
Exact Mass	271.10200
PSA	57.61000
LogP	1.62820
Index of Refraction	1.533
InChIKey	FKGIXUVBZGIBIJ-UHFFFAOYSA-N
SMILES	O=C(O)C(=O)Cc1ccc(N(CCF)CCF)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UZ0835000

CHEMICAL NAME :: Pyruvic acid, 3-(p-(bis-(2-fluoroethyl)amino)phenyl)-

CAS REGISTRY NUMBER :: 4252-36-2

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H15-F2-N-O3

MOLECULAR WEIGHT :: 271.29

WISWESSER LINE NOTATION :: QVV1R DN2F2F

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD10 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,741,1965

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Product Name: 3-[4-(bis(2-fluoroethyl)amino)phenyl]-2-oxo-propanoic acid
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