1,2-Ethynediboronic Acid Bis(pinacol) Ester

Inquiry

Molecular Formula:

C14H24O4B2

Molecular Weight:

277.96

CAS Number:

1010840-17-1

Catalog Number:

1010840-17-1

Product Information

Molecular Formula:

C14H24O4B2

Molecular Weight:

277.96

Description

Reactant for the preparation of: Poly(p-phenyleneethynylene)s (PPEs), which are used in constructing organic light-emitting diodes (OLEDs), field-effect transistors (FETs) and several other materials used in electronic devices.

Synonyms

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C#CB2OC(C(O2)(C)C)(C)C

InChI

InChI=1S/C14H24B2O4/c1-11(2)12(3,4)18-15(17-11)9-10-16-19-13(5,6)14(7,8)20-16/h1-8H3

InChI Key

FABDBLONUBCKBB-UHFFFAOYSA-N

Melting Point

269 °C

Purity

97 %

Appearance

Powder

Storage

2-8 °C

LogP

2.25260

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.1860696 g/mol

Monoisotopic Mass

278.1860696 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

398

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1,2-Ethynediboronic Acid Bis(pinacol) Ester

Product Information

Computed Properties

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