Product Name

  • Name

    2-METHYLPYRIDINE-4-BORONIC ACID PINACOL ESTER

  • EINECS
  • CAS No. 660867-80-1
  • Article Data21
  • CAS DataBase
  • Density 1.02 g/cm3
  • Solubility
  • Melting Point 66-71 °C
  • Formula C12H18BNO2
  • Boiling Point 315.9 °C at 760 mmHg
  • Molecular Weight 219.091
  • Flash Point 144.8 °C
  • Transport Information
  • Appearance yellow powder
  • Safety 26-39
  • Risk Codes 37/38-41
  • Molecular Structure Molecular Structure of 660867-80-1 (2-METHYLPYRIDINE-4-BORONIC ACID PINACOL ESTER)
  • Hazard Symbols Xi
  • Synonyms 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-Picoline-4-boronic acid pinacol ester;2-Methylpyridine-4-boronic acid pinacol ester;
  • PSA 31.35000
  • LogP 1.68920

2-Methylpyridine-4-boronic acid pinacol ester Specification

The IUPAC name of Pyridine,2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. With the CAS registry number 660867-80-1, it is also named as 2-Picoline-4-boronic acid pinacol ester. The product's categories are Boronic Ester; Organoborons; Pyridine. Besides, it is yellow powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C12H18BNO2 and its molecular weight is 219.09.

The other characteristics of Pyridine,2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- can be summarized as: (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: 1.489; (6)Molar Refractivity: 61.87 cm3; (7)Molar Volume: 214 cm3; (8)Polarizability: 24.53×10-24cm3; (9)Surface Tension: 33.6 dyne/cm; (10)Density: 1.02 g/cm3; (11)Flash Point: 144.8 °C; (12)Melting Point: 66-71 °C; (13)Enthalpy of Vaporization: 53.5 kJ/mol; (14)Boiling Point: 315.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000788 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccnc(C)c2
(2)InChI: InChI=1/C12H18BNO2/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
(3)InChIKey: MBTULFIFECUURA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H18BNO2/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
(5)Std. InChIKey: MBTULFIFECUURA-UHFFFAOYSA-N

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