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2-Benzyloxypyridine-3-boronic acid pinacol ester

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  • Name 2-Benzyloxypyridine-3-boronic acid pinacol ester
  • EINECSN/A
  • CAS No. 1073371-81-9
  • Density1.11 g/cm3
  • PSA40.58000
  • LogP2.95980
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC18H22BNO3
  • Boiling Point436.4 °C at 760 mmHg
  • Molecular Weight311.189
  • Flash Point217.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety45
  • Risk Codes25
  • Molecular Structure
    Molecular Structure of 1073371-81-9 (2-BENZYLOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)PYRIDINE)
  • Hazard SymbolsT
  • SynonymsT

2-Benzyloxypyridine-3-boronic acid pinacol ester Specification

The 2-Benzyloxypyridine-3-boronic acid pinacol ester, with the CAS registry number 1073371-81-9, is also known as Pyridine, 2-(phenylmethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. This chemical's molecular formula is C18H22BNO3 and molecular weight is 311.18. What's more, its systematic name is 2-benzyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Physical properties of 2-Benzyloxypyridine-3-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 40.58 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 88.33 cm3; (7)Molar Volume: 279.6 cm3; (8)Polarizability: 35.01×10-24cm3; (9)Surface Tension: 41.5 dyne/cm; (10)Density: 1.11 g/cm3; (11)Flash Point: 217.8 °C; (12)Enthalpy of Vaporization: 66.62 kJ/mol; (13)Boiling Point: 436.4 °C at 760 mmHg; (14)Vapour Pressure: 2.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c3cccnc3OCc2ccccc2
(2)InChI: InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-11-8-12-20-16(15)21-13-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3
(3)InChIKey: IFMSDMPTVPMGOP-UHFFFAOYSA-N

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