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| CAS No.: | 13445-16-4 |
|---|---|
| Name: | 3-Bromo-2,6-dimethoxypyridine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C7H8BrNO2 |
| Molecular Weight: | 218.05 |
| Synonyms: | 3-Bromo-2,6-dimethoxypyridine; |
| Density: | 1.484 g/cm3 |
| Boiling Point: | 223.6 °C at 760 mmHg |
| Flash Point: | 89 °C |
| PSA: | 31.35000 |
| LogP: | 1.86130 |
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- Total:31 Page 1 of 1 1
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Specification
The Pyridine, 3-bromo-2, 6-dimethoxy- has CAS registry number 13445-16-4. This chemical's molecular formula is C7H8BrNO2 and molecular weight is 218.05. What's more, its systematic name is 3-Bromo-2, 6-dimethoxypyridine. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place at room temperature. Meanwhile, it should be kept away from oxidant.
Physical properties about Pyridine, 3-bromo-2, 6-dimethoxy- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.96; (6)ACD/BCF (pH 7.4): 91.96; (7)ACD/KOC (pH 5.5): 885.44; (8)ACD/KOC (pH 7.4): 885.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.39 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 17.99×10-24 cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 89 °C; (20)Enthalpy of Vaporization: 44.14 kJ/mol; (21)Boiling Point: 223.6 °C at 760 mmHg; (22)Vapour Pressure: 0.142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(OC)nc1OC
(2) InChI: InChI=1/C7H8BrNO2/c1-10-6-4-3-5(8)7(9-6)11-2/h3-4H,1-2H3
(3) InChIKey: UUTYQBCAEWGFQL-UHFFFAOYAP