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CAS No.: | 458532-82-6 |
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Name: | 2-BROMO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE |
Molecular Structure: | |
Formula: | C11H15BBrNO2 |
Molecular Weight: | 283.96 |
Synonyms: | 2-Bromo-4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridine; |
Density: | 1.34 g/cm3 |
Melting Point: | 80-83 °C |
Boiling Point: | 354.7 °C at 760 mmHg |
Flash Point: | 168.3 °C |
Solubility: | Insoluble in water. |
PSA: | 31.35000 |
LogP: | 2.14330 |
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The 2-Bromopyridine-4-boronic acid pinacol ester, with the CAS registry number of 458532-82-6, is also known as 2-Bromo-4-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-pyridine. This chemical's molecular formula is C11H15BBrNO2 and molecular weight is 283.96. What's more, its systematic name is called 2-Bromo-4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant.
Physical properties about 2-Bromopyridine-4-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.527; (6)Molar Refractivity: 64.97 cm3; (7)Molar Volume: 211 cm3; (8)Surface Tension: 39.2 dyne/cm; (9)Density: 1.34 g/cm3; (10)Flash Point: 168.3 °C; (11)Enthalpy of Vaporization: 57.61 kJ/mol; (12)Boiling Point: 354.7 °C at 760 mmHg; (13)Vapour Pressure: 6.71E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)OB(OC1(C)C)c2ccnc(Br)c2
(2) InChI: InChI=1/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
(3) InChIKey: NQVRUHXWNFMWQB-UHFFFAOYAD