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CAS No.: | 21642-98-8 |
---|---|
Name: | 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H6N2O2 |
Molecular Weight: | 150.137 |
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; |
EINECS: | 800-656-5 |
Density: | 1.27 g/cm3 |
Melting Point: | 293 °C |
Boiling Point: | 421.8 °C at 760 mmHg |
Flash Point: | 208.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 65.88000 |
LogP: | 0.25518 |
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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 cm3
Polarizability: 14.75×10-24cm3
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
Hazard Codes: Xi
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 (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 .