Product Name

  • Name

    5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE

  • EINECS
  • CAS No. 376584-62-2
  • Article Data2
  • CAS DataBase
  • Density 1.16±0.1 g/cm3(Predicted)
  • Solubility Slightly soluble in water.
  • Melting Point
  • Formula C14H18BNO3
  • Boiling Point 476.6±45.0 °C(Predicted)
  • Molecular Weight 259.113
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 376584-62-2 (5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE)
  • Hazard Symbols
  • Synonyms 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE;1-Isoindolinone-5-boronic acid pinacol ester;5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one;1H-Isoindol-1-one, 2,3-dihydro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindol-1-one;1-Oxoisoindoline-5-boronic acid, pinacol ester;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one, 2,3-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-1-one
  • PSA 47.56000
  • LogP 1.55800

1-Isoindolinone-5-boronic acid pinacol ester Specification

The 1-Isoindolinone-5-boronic acid pinacol ester, with the CAS registry number 376584-62-2, is also known as 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one. This chemical's molecular formula is C14H18BNO3 and molecular weight is 258.14. What's more, its systematic name is 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isoindolinone.

Physical properties of 1-Isoindolinone-5-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.56 Å2; (5)Index of Refraction: 1.545; (6)Molar Refractivity: 70.432 cm3; (7)Molar Volume: 222.88 cm3; (8)Polarizability: 27.922×10-24cm3; (9)Surface Tension: 40.6 dyne/cm; (10)Density: 1.163 g/cm3; (11)Flash Point: 242.038 °C; (12)Enthalpy of Vaporization: 74.034 kJ/mol; (13)Boiling Point: 476.598 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc3C(=O)NCc3c2
(2)Std. InChI: InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-16-12(11)17/h5-7H,8H2,1-4H3,(H,16,17)
(3)Std. InChIKey: CLACMCLRELMFLJ-UHFFFAOYSA-N 

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