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4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

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4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

EINECS 800-656-5
CAS No. 21642-98-8 Density 1.27 g/cm3
PSA 65.88000 LogP 0.25518
Solubility N/A Melting Point 293 °C
Formula C7H6N2O2 Boiling Point 421.8 °C at 760 mmHg
Molecular Weight 150.137 Flash Point 208.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 21642-98-8 (4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile) Hazard Symbols IrritantXi
Synonyms

1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile;3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-;3-Cyano-2-hydroxy-4-methoxypyridine;3-Cyano-4-Methoxy-2-(1H)-Pyridinone;2-Hydroxy-4-methoxynicotinonitrile;

Article Data 7

4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile Chemical Properties


IUPAC Name: 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
Molecular Formula: C7H6N2O2
Molecular Weight: 150.134740 g/mol
Canonical SMILES: COc1c(C#N)c(=O)[nH]cc1
InChI: InChI=1/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10) 
Mol File: 21642-98-8.mol
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 150.042927
MonoIsotopic Mass: 150.042927
Topological Polar Surface Area: 62.1
Heavy Atom Count: 11
Complexity: 293
Product Categories: blocks;Pyridines; API intermediates; Pyridine
Index of Refraction: 1.547 
Molar Refractivity: 37.22 cm3 
Molar Volume: 117.2 cm
Polarizability: 14.75×10-24cm
Surface Tension: 49.8 dyne/cm 
Density: 1.27 g/cm3 
Flash Point: 208.9 °C
Enthalpy of Vaporization: 67.58 kJ/mol 
Boiling Point: 421.8 °C at 760 mmHg 
Melting Point: 293 °C
Vapour Pressure of 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile (CAS NO.21642-98-8): 2.54E-07 mmHg at 25 °C 

4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements  26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:  3439
Hazard Note of 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile (CAS NO.21642-98-8): Irritant

4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile Specification

  4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile (CAS NO.21642-98-8), its Synonyms are 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile ; 3-Cyano-2-hydroxy-4-methoxypyridine ; 3-Cyano-4-methoxyl-2-(1H)-pyridione ; 3-Cyano-4-methoxy-2-(1H)-pyridine ; 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile ; 3-Cyano-4-methoxy1-2-(1H)-pyridione .

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