Product Name

  • Name

    4-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER

  • EINECS
  • CAS No. 754226-40-9
  • Article Data19
  • CAS DataBase
  • Density 1.08 g/cm3
  • Solubility
  • Melting Point 81-85 °C(lit.)
  • Formula C19H23BO3
  • Boiling Point 428.5 °C at 760 mmHg
  • Molecular Weight 310.201
  • Flash Point 213 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 754226-40-9 (4-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER)
  • Hazard Symbols IrritantXi
  • Synonyms 2-[4-(benzyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
  • PSA
  • LogP

1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]- Specification

The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]- has the CAS registry number 754226-40-9. It belongs to the product categories of blocks; BoronicAcids. This chemical's molecular formula is C19H23BO3 and molecular weight is 310.2. What's more, its systematic name is 2-[4-(benzyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. It should be sealed and stored in a cool and dry place.

Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 90.53 cm3; (7)Molar Volume: 286.7 cm3; (8)Polarizability: 35.89×10-24 cm3; (9)Surface Tension: 38.5 dyne/cm; (10)Density: 1.08 g/cm3; (11)Flash Point: 213 °C; (12)Enthalpy of Vaporization: 65.73 kJ/mol; (13)Boiling Point: 428.5 °C at 760 mmHg; (14)Vapour Pressure: 3.76E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O1B(OC(C)(C)C1(C)C)c3ccc(OCc2ccccc2)cc3
(2)InChI: InChI=1/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
(3)InChIKey: KMKOKPUXZWBMEI-UHFFFAOYAZ

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