-
Name
Methyl nicotinoylacetate
- EINECS
- CAS No. 54950-20-8
- Article Data15
- CAS DataBase
- Density 1.189 g/cm3
- 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
- Appearance white to pink-brownish crystalline powder
- Safety S24/25
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- 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
- PSA 56.26000
- LogP 0.82740
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: 
Xi
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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