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| CAS No.: | 870521-31-6 |
|---|---|
| Name: | 5-Bromo-2-isopropoxypyridine |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C8H10BrNO |
| Molecular Weight: | 216.077 |
| Synonyms: | Pyridine, 5-bromo-2-(1-methylethoxy)-;5-Bromo-2-(propan-2-yloxy)pyridine; |
| Density: | 1.383 g/cm3 |
| Melting Point: | 45.61 °C (Mean or Weighted MP) |
| Boiling Point: | 228.345 °C at 760 mmHg |
| Flash Point: | 91.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 22.12000 |
| LogP: | 2.63130 |
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Specification
The 5-Bromo-2-isopropoxypyridine, with the CAS registry number of 870521-31-6, belongs to the product category of Boronic Acid. This chemical's molecular formula is C8H10BrNO and molecular weight is 216.08. What's more, its systematic name is called 5-Bromo-2-(propan-2-yloxy)pyridine.
Physical properties about 5-Bromo-2-isopropoxypyridine are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 263; (6)ACD/BCF (pH 7.4): 263; (7)ACD/KOC (pH 5.5): 1879; (8)ACD/KOC (pH 7.4): 1880; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 47.937 cm3; (15)Molar Volume: 156.234 cm3; (16)Polarizability: 19.004 ×10-24 cm3; (17)Surface Tension: 37.083 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 91.9 °C; (20)Enthalpy of Vaporization: 44.604 kJ/mol; (21)Boiling Point: 228.345 °C at 760 mmHg; (22)Melting Point: 45.61 °C (Mean or Weighted MP); (23)Vapour Pressure: 0.111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)Oc1ccc(Br)cn1
(2) InChI: InChI=1/C8H10BrNO/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3
(3) InChIKey: FSZRSTNRZUIEMA-UHFFFAOYAY