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ChemicalBook CAS DataBase List 3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester

3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Structure

3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester

Product Name3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester
CAS49744-93-6
CBNumberCB0195056
MFC12H11NO3
MW217.22
MDL NumberMFCD00029621
MOL File49744-93-6.mol
MSDS FileSDS

Chemical Properties

Melting point	65.0 to 69.0 °C
Boiling point	140°C/0.1mmHg(lit.)
Density	1.19±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
form	powder to crystal
pka	8.88±0.25(Predicted)
color	Light yellow to Yellow to Orange
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)7-11(14)10-5-3-9(8-13)4-6-10/h3-6H,2,7H2,1H3
InChIKey	ITKQVWKZLCNILF-UHFFFAOYSA-N
SMILES	C1(C=CC(C#N)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference	49744-93-6

Safety

Symbol(GHS)
Signal word	Warning
Hazard statements	H302+H312+H332-H315-H319
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
HS Code	2926.90.4801

3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Price

Product number	Packaging	Price	Product description	Buy
TCI Chemical E1080	1g	$382	Ethyl 3-(4-Cyanophenyl)-3-oxopropionate >98.0%(GC)(T)	Buy
TCI Chemical E1080	200mg	$109	Ethyl 3-(4-Cyanophenyl)-3-oxopropionate >98.0%(GC)(T)	Buy
Usbiological 275782	250mg	$358	Ethyl (4-cyanobenzoyl)acetate Asreported	Buy
Usbiological 275782	500mg	$496	Ethyl (4-cyanobenzoyl)acetate Asreported	Buy
Usbiological 275782	1g	$771	Ethyl (4-cyanobenzoyl)acetate Asreported	Buy

3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester synthesis

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3-(4-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Spectrum

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