2,3,5,6-TETRAMETHYLPHENYLBORONIC ACID

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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
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
178.1165099 g/mol
Monoisotopic Mass
178.1165099 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
158
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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