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CAS No.: | 848243-23-2 |
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Name: | 2-ETHOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H20BNO3 |
Molecular Weight: | 249.118 |
Synonyms: | 2-Ethoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine;2-Ethoxypyridin-3-ylboronic acid pinacol ester; |
Density: | 1.05 g/cm3 |
Boiling Point: | 344.7 °C at 760 mmHg |
Flash Point: | 162.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 40.58000 |
LogP: | 1.77950 |
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The systematic name of Pyridine,2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. With the CAS registry number 848243-23-2, it is also named as 2-Ethoxypyridin-3-ylboronic acid pinacol ester. In addition, its molecular formula is C13H20BNO3 and its molecular weight is 249.11.
The other characteristics of Pyridine,2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 40.58 Å2; (5)Index of Refraction: 1.488; (6)Molar Refractivity: 68.25 cm3; (7)Molar Volume: 236.5 cm3; (8)Polarizability: 27.05×10-24cm3; (9)Surface Tension: 35.1 dyne/cm; (10)Density: 1.05 g/cm3; (11)Flash Point: 162.3 °C; (12)Enthalpy of Vaporization: 56.54 kJ/mol; (13)Boiling Point: 344.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000129 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CC1(C)OB(OC1(C)C)c2cccnc2OCC
(2)InChI: InChI=1/C13H20BNO3/c1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
(3)InChIKey: GRXNEZGBXVIORK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H20BNO3/c1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
(5)Std. InChIKey: GRXNEZGBXVIORK-UHFFFAOYSA-N