NEOPENTYLBORONIC ACID

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Molecular Formula:

C5H13BO2

Molecular Weight:

115.96652

CAS Number:

701261-35-0

Catalog Number:

701261-35-0

Product Information

Molecular Formula:

C5H13BO2

Molecular Weight:

115.96652

Description

Reactant for:• Preparation of alkylarenes via tetraphosphine-palladium-catalyzed Suzuki cross-coupling with aryl halides

Synonyms

NEOPENTYLBORONIC ACID; 2,2-Dimethylpropylboronic acid; Neopentylboronic acid / 2,2-Dimethylpropylboronic acid

IUPAC Name

2,2-dimethylpropylboronic acid

Canonical SMILES

B(CC(C)(C)C)(O)O

InChI

InChI=1S/C5H13BO2/c1-5(2,3)4-6(7)8/h7-8H,4H2,1-3H3

InChI Key

VCPOZKMTAGEGOT-UHFFFAOYSA-N

Melting Point

85-89 °C

Flash Point

Not applicable

Purity

≥95%

Appearance

White to tan solid

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

116.1008598 g/mol

Monoisotopic Mass

116.1008598 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

65.3

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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NEOPENTYLBORONIC ACID

Product Information

Computed Properties

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