Product Name

  • Name

    2-METHOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE

  • EINECS
  • CAS No. 532391-31-4
  • Article Data2
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility
  • Melting Point 59-61°C
  • Formula C12H18BNO3
  • Boiling Point 329.4 °C at 760 mmHg
  • Molecular Weight 235.091
  • Flash Point 153 °C
  • Transport Information
  • Appearance yellow solid
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 532391-31-4 (2-METHOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine;
  • PSA 40.58000
  • LogP 1.38940

2-Methoxypyridine-3-boronic acid pinacol ester Specification

The IUPAC name of 2-Methoxypyridine-3-boronic acid pinacol ester is 2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. With the CAS registry number 532391-31-4, it is also named as Pyridine,2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. The product's categories are Organoborons and Pyridine. In addition, its molecular formula is C12H18BNO3 and its molecular weight is 235.09. Besides, this chemical is yellow solid which should be stored in closed, cool and dry place.

The other characteristics of 2-Methoxypyridine-3-boronic acid pinacol ester can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 235.137974; (5)MonoIsotopic Mass: 235.137974; (6)Topological Polar Surface Area: 40.6; (7)Heavy Atom Count: 17; (8)Complexity: 267; (9)Freely Rotating Bonds: 2; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 63.62 cm3; (12)Molar Volume: 220.2 cm3; (13)Polarizability: 25.22×10-24cm3; (14)Surface Tension: 35 dyne/cm; (15)Density: 1.06 g/cm3; (16)Flash Point: 153 °C; (17)Enthalpy of Vaporization: 54.92 kJ/mol; (18)Boiling Point: 329.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00034 mmHg at 25 °C; (20)Melting Point: 59-61 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC1(C)OB(OC1(C)C)c2cccnc2OC
(2)InChI:InChI=1/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5/h6-8H,1-5H3
(3)InChIKey:JEJYNUCGRAHMDO-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5/h6-8H,1-5H3
(5)Std. InChIKey:JEJYNUCGRAHMDO-UHFFFAOYSA-N

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