Product Name

  • Name

    1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester

  • EINECS
  • CAS No. 886547-94-0
  • Article Data8
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility
  • Melting Point 355-360°C
  • Formula C19H21BN2O4S
  • Boiling Point 565.1 °C at 760 mmHg
  • Molecular Weight 384.264
  • Flash Point 295.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 886547-94-0 (1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester)
  • Hazard Symbols
  • Synonyms 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
  • PSA 78.80000
  • LogP 3.65330

1-(Phenylsulfonyl)-7-azaindole-3-boronic acid pinacol ester Specification

This chemical is called 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin, and it can also be named as 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester. With the molecular formula of C19H21BN2O4S, its CAS registry number of is 886547-94-0.

Other characteristics of the 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin can be summarised as followings: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 78.8 Å2; (5)Index of Refraction: 1.601; (6)Molar Refractivity: 104.61 cm3; (7)Molar Volume: 305.2 cm3; (8)Polarizability: 41.47×10-24cm3; (9)Surface Tension: 45.7 dyne/cm; (10)Density: 1.25 g/cm3; (11)Flash Point: 295.6 °C; (12)Enthalpy of Vaporization: 84.89 kJ/mol; (13)Boiling Point: 565.1 °C at 760 mmHg; (14)Vapour Pressure: 8.58E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: B1(OC(C(O1)(C)C)(C)C)c2cn(c3c2cccn3)S(=O)(=O)c4ccccc4
2.InChI: InChI=1/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
3.InChIKey: KZANVIJXSQABKR-UHFFFAOYAQ

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