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Indole-4-boronic acid pinacol ester

  • Name Indole-4-boronic acid pinacol ester
  • EINECSN/A
  • CAS No. 388116-27-6
  • Density1.112 g/cm3
  • PSA34.25000
  • LogP2.46710
  • SolubilityN/A
  • Melting Point120-125 °C(lit.)
  • FormulaC14H18BNO2
  • Boiling Point395.997 °C at 760 mmHg
  • Molecular Weight243.113
  • Flash Point193.292 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 388116-27-6 (Indole-4-boronic acid pinacol ester)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data1

Indole-4-boronic acid pinacol ester Specification

The CAS register number of Indole-4-boronic acid pinacol ester is 388116-27-6. It also can be called as 1H-indole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Physical properties about Indole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39Å2; (5)Index of Refraction: 1.562; (6)Molar Refractivity: 70.93 cm3; (7)Molar Volume: 218.5 cm3; (8)Surface Tension: 39.5 dyne/cm; (9)Density: 1.11 g/cm3; (10)Flash Point: 193.3 °C; (11)Enthalpy of Vaporization: 62.1 kJ/mol; (12)Boiling Point: 396 °C at 760 mmHg; (13)Vapour Pressure: 4.03E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O1B(OC(C)(C)C1(C)C)c3cccc2nccc23
2.InChI: InChI=1/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3
3.InChIKey: QDCIXBBEUHMLDN-UHFFFAOYAT
4.Std. InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3

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