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CAS No.: | 104819-48-9 |
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Name: | 2-BROMO-3-METHOXYPYRIDINE-N-OXIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H6BrNO2 |
Molecular Weight: | 204.023 |
Synonyms: | 2-Bromo-3-Methoxypyridine-N-Oxide;2-bromo-3-methoxypyridin-1-ol; |
Density: | 1.61 g/cm3 |
Boiling Point: | 360.9 °C at 760 mmHg |
Flash Point: | 172.1 °C |
PSA: | 34.69000 |
LogP: | 1.88620 |
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The Pyridine,2-bromo-3-methoxy-, 1-oxide, with the CAS registry number 104819-48-9, is also known as 2-Bromo-3-Methoxypyridine-N-Oxide. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H6BrNO2 and molecular weight is 204.02. What's more, its systematic name is 2-Bromo-3-methoxypyridine 1-oxide.
Physical properties of Pyridine,2-bromo-3-methoxy-, 1-oxide are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 34.69Å2; (6)Index of Refraction: 1.564; (7)Molar Refractivity: 41.21 cm3; (8)Molar Volume: 126.7 cm3; (9)Polarizability: 16.33×10-24 cm3; (10)Surface Tension: 43.9 dyne/cm; (11)Density: 1.61 g/cm3; (12)Flash Point: 172.1 °C; (13)Enthalpy of Vaporization: 58.28 kJ/mol; (14)Boiling Point: 360.9 °C at 760 mmHg; (15)Vapour Pressure: 4.46×10-5 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-bromo-3-methoxy-pyridine. This reaction will need m-chloroperbenzoic acid and solvent CHCl3 with the reaction time of 2.5 hours. The yield is about 90%.
Uses of Pyridine,2-bromo-3-methoxy-, 1-oxide: it can be used to produce 2-bromo-3-methoxy-6-nitropyridine N-oxide and 2-bromo-3-methoxy-4-nitropyridine N-oxide at the temperature of 60 °C. It will need reagents fuming HNO3, conc, H2SO4 with the reaction time of 1 hour. The yield is about 37%.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc[n+](c1Br)[O-]
(2)InChI: InChI=1/C6H6BrNO2/c1-10-5-3-2-4-8(9)6(5)7/h2-4H,1H3
(3)InChIKey: HZSVGYDULFVJAB-UHFFFAOYAI