Isobutylboronic Acid

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Product Information

Molecular Formula:
C4H11O2B
Molecular Weight:
101.94
Description
(2-Methylpropyl)boronic acid can be used as: A reactant in the preparation of 4-isobutylisoquinoline from 4-bromoisoquinoline by Suzuki-Miyaura type couple reaction; A catalyst along with aluminum hydroxide, boric acid in the polymerization of styrene.It can also be used as a reactant in: Copper catalyzed cross-coupling reactions ; The synthesis of polyborylalkanes by Ir-catalyzed C-H borylation reaction ; The preparation of heterosubstituted diazaboroles and borinines.
Synonyms
2-methylpropylboronic acid; 2-methylpropylboronic acid
IUPAC Name
2-methylpropylboronic acid
Canonical SMILES
B(CC(C)C)(O)O
InChI
InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3
InChI Key
ZAZPDOYUCVFPOI-UHFFFAOYSA-N
Boiling Point
180 °C at 760 mmHg
Melting Point
108-111 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
0.91 g/cm3
LogP
0.11520

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
102.0852098 g/mol
Monoisotopic Mass
102.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
45
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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