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Methyl nicotinoylacetate

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Name

Methyl nicotinoylacetate

EINECS N/A
CAS No. 54950-20-8 Density 1.189 g/cm3
PSA 56.26000 LogP 0.82740
Solubility Water solubility, neglegible Melting Point 34-42 ºC
Formula C9H9 N O3 Boiling Point 283.1 °C at 760 mmHg
Molecular Weight 179.175 Flash Point 125 °C
Transport Information N/A Appearance white to pink-brownish crystalline powder
Safety S24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 54950-20-8 (Methyl nicotinoylacetate) Hazard Symbols IrritantXi
Synonyms

3-Pyridinepropionicacid, b-oxo-, methyl ester (6CI);3-Oxo-3-(pyridin-3-yl)propanoic acid methyl ester; 3-Oxo-3-pyridin-3-ylpropionicacid methyl ester; Methyl 3-oxo-3-(3-pyridinyl)propanoate; Methylnicotinoylacetate

Article Data 15

Methyl nicotinoylacetate Chemical Properties

Molecular structure of Methyl nicotinoylacetate (CAS NO.54950-20-8) is:

Product Name: Methyl nicotinoylacetate
CAS Registry Number: 54950-20-8
IUPAC Name: Methyl 3-oxo-3-pyridin-3-ylpropanoate
Molecular Weight: 179.17266 [g/mol]  
Molecular Formula: C9H9NO3  
XLogP3: 0.5  
H-Bond Donor: 0  
H-Bond Acceptor: 4
Melting Point: 34-42 °C 
Water Solubility: neglegible
Index of Refraction: 1.514 
Molar Refractivity: 45.41 cm3 
Molar Volume: 150.6 cm3
Surface Tension: 45.2 dyne/cm 
Density: 1.189 g/cm3 
Flash Point: 125 °C 
Enthalpy of Vaporization: 52.2 kJ/mol 
Boiling Point: 283.1 °C at 760 mmHg 
Vapour Pressure: 0.00323 mmHg at 25°C 
Canonical SMILES: COC(=O)CC(=O)C1=CN=CC=C1
InChI: InChI=1S/C9H9NO3/c1-13-9(12)5-8(11)7-3-2-4-10-6-7/h2-4,6H,5H2,1H3 
InChIKey: JUQKVXRLRKKRPL-UHFFFAOYSA-N

Methyl nicotinoylacetate Safety Profile

Safty information about Methyl nicotinoylacetate (CAS NO.54950-20-8) is:
Hazard Codes: IrritantXi
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
Hazard Note: Irritant
HazardClass: IRRITANT

Methyl nicotinoylacetate Specification

 Methyl nicotinoylacetate , its cas register number is 54950-20-8. It also can be called Methyl (3-pyridinecarbonyl)acetate ; 3-Pyridinepropanoic acid, beta-oxo-, methyl ester .It is a white to pink-brownish crystalline powder.

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