2-Acetylphenylboronic Acid

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Product Information

Molecular Formula:
C8H9O3B
Molecular Weight:
163.97
Description
Reactant involved in: Suzuki-Miyaura cross-coupling reactions; Rhodium-catalyzed annulation of ynamides; Transient masking of hydroxy groups; Cationic palladium complex-catalyzed diastereoselective tandem annulation; Hydrogen peroxide mediated formation of heteroaryl ethers; Copper-catalyzed transmetalation and homocoupling.
Synonyms
(2-acetylphenyl)boronic acid; (2-acetylphenyl)boronic acid
IUPAC Name
(2-acetylphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1C(=O)C)(O)O
InChI
InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3
InChI Key
ZKAOVABYLXQUTI-UHFFFAOYSA-N
Boiling Point
349.9 ℃ at 760 mmHg
Melting Point
170 ℃ (dec.) (lit.)
Purity
≥ 95 %
Density
1.19 g/cm3
LogP
-0.43100

Safety Information

Hazards
H315 - H319 - H335
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
3
Rotatable Bond Count
2
Exact Mass
164.0644743 g/mol
Monoisotopic Mass
164.0644743 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
170
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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