2,3,5,6-TETRAMETHYLPHENYLBORONIC ACID

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Molecular Formula:

C10H15BO2

Molecular Weight:

178.04

CAS Number:

197223-36-2

Catalog Number:

197223-36-2

Product Information

Molecular Formula:

C10H15BO2

Molecular Weight:

178.04

Description

2,3,5,6-Tetramethylphenylboronic Acid is a biochemical compound often used in palladium-catalyzed coupling reactions for drug synthesis. It aids in the development of pharmaceuticals treating diseases like cancer and cardiovascular disorders.

Synonyms

2,3,5,6-TETRAMETHYLPHENYLBORONIC ACID; AKOS BRN-1011

IUPAC Name

(2,3,5,6-tetramethylphenyl)boronic acid

Canonical SMILES

B(C1=C(C(=CC(=C1C)C)C)C)(O)O

InChI

InChI=1S/C10H15BO2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5,12-13H,1-4H3

InChI Key

BCMVUEOVWMZJBS-UHFFFAOYSA-N

Boiling Point

351.2°C at 760 mmHg

Melting Point

145-148°C(lit.)

Flash Point

Not applicable

Purity

96%

Density

1.04g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.1165099 g/mol

Monoisotopic Mass

178.1165099 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

158

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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2,3,5,6-TETRAMETHYLPHENYLBORONIC ACID

Product Information

Computed Properties

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