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Quinoline-3-boronic acid pinacol ester

  • Name Quinoline-3-boronic acid pinacol ester
  • EINECSN/A
  • CAS No. 171364-85-5
  • Density1.101 g/cm3
  • PSA31.35000
  • LogP2.53400
  • SolubilityN/A
  • Melting Point56-60 °C(lit.)
  • FormulaC15H18BNO2
  • Boiling Point386.468 °C at 760 mmHg
  • Molecular Weight255.124
  • Flash Point187.53 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 171364-85-5 (QUINOLINE-3-BORONIC ACID PINACOLATE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data13

Quinoline-3-boronic acid pinacol ester Specification

The Quinoline,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with CAS registry number 171364-85-5, belongs to the following product categories: (1)API intermediates; (2)Boronic Acid. It has the systematic name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline. And the chemical formula of this chemical is C15H18BNO2.

Physical properties of Quinoline,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (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: 1.559; (6)Molar Refractivity: 74.813 cm3; (7)Molar Volume: 231.722 cm3; (8)Polarizability: 29.658×10-24cm3; (9)Surface Tension: 39.88 dyne/cm; (10)Density: 1.101 g/cm3; (11)Flash Point: 187.53 °C; (12)Enthalpy of Vaporization: 61.055 kJ/mol; (13)Boiling Point: 386.468 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Quinoline,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cc3ccccc3nc2
(2)InChI: InChI=1/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h5-10H,1-4H3
(3)InChIKey: ARRJAONCYUAPJR-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h5-10H,1-4H3
(5)Std. InChIKey: ARRJAONCYUAPJR-UHFFFAOYSA-N

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