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CAS No.: | 109911-38-8 |
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Name: | 4-BROMO-3-METHOXYPYRIDINE |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 188.02 |
Synonyms: | 4-Bromo-3-methoxypyridine;Ascomycin; |
Density: | 1.531 g/cm3 |
Boiling Point: | 229.572 °C at 760 mmHg |
Flash Point: | 92.642 °C |
PSA: | 22.12000 |
LogP: | 1.85270 |
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The Pyridine,4-bromo-3-methoxy- has the CAS registry number 109911-38-8. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.02. What's more, its systematic name is 4-bromo-3-methoxypyridine.
Physical properties of Pyridine,4-bromo-3-methoxy- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/BCF (pH 5.5): 11.27; (5)ACD/BCF (pH 7.4): 11.32; (6)ACD/KOC (pH 5.5): 196.89; (7)ACD/KOC (pH 7.4): 197.65; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 22.12 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 38.71 cm3; (14)Molar Volume: 122.8 cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.53 g/cm3; (17)Flash Point: 92.6 °C; (18)Enthalpy of Vaporization: 44.72 kJ/mol; (19)Boiling Point: 229.6 °C at 760 mmHg; (20)Vapour Pressure: 0.104 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-bromo-3-methoxy-pyridine 1-oxide. This reaction will need reagent Fe, HOAc. The yield is about 80%.
Uses of Pyridine,4-bromo-3-methoxy-: it can be used to produce 3,3'-dimethoxy-[4,4']bipyridinyl at the temperature of 50 °C. It will need reagent NiCl2·6H2O, Zn and solvent dimethylformamide with the reaction time of 48 hours. The yield is about 32%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1OC
(2)InChI: InChI=1S/C6H6BrNO/c1-9-6-4-8-3-2-5(6)7/h2-4H,1H3
(3)InChIKey: RLJLJPJHDXLJFY-UHFFFAOYSA-N