4,4'-Biphenyldiboronic Acid

Inquiry

Molecular Formula:

C12H12O4B2

Molecular Weight:

241.84

CAS Number:

4151-80-8

Catalog Number:

4151-80-8

Product Information

Molecular Formula:

C12H12O4B2

Molecular Weight:

241.84

Description

Reactant involved in synthesis of: Organic field-effect transistors based on organic semiconductors containing diazaboroles; Cycloparaphenylenes via Suzuki coupling; 1,3,2-Diazaboroine derivatives for organic thin-film transistor applications; Back-to-back coupled 2,6-bis(triazol-1-yl)pyridine molecules; Rectangular host via electrochemical reactions with methylaquacobaloxime and diamine; Arylboronates from reactions with catechol, dihydroxynaphthalene and diaminobenzenedithiol for use as organic field-effect transistors and light emitting diodes.

Synonyms

[4-(4-boronophenyl)phenyl]boronic acid; [4-(4-boronophenyl)phenyl]boronic acid

IUPAC Name

[4-(4-boronophenyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O

InChI

InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H

InChI Key

SLHKDOGTVUCXKX-UHFFFAOYSA-N

Boiling Point

505.9 °C at 760 mmHg

Melting Point

300 °C

Flash Point

Not applicable

Purity

> 95.0 % (T)

Density

1.31 g/cm³

Appearance

White to green to brown powder to crystal

LogP

-1.28680

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.0921692 g/mol

Monoisotopic Mass

242.0921692 g/mol

Topological Polar Surface Area

80.9Å²

Heavy Atom Count

Formal Charge

Complexity

221

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

Patents

Publication Number	Title	Priority Date
CN-113851714-A	Electrolyte and application thereof	2021-09-18
CN-112409374-A	Preparation method of rigid core direct-connected graphene-like benzophenanthrene discotic liquid crystal and mesomorphism	2020-11-20
WO-2022054335-A1	Photocatalyst complex	2020-09-11
JP-2022038301-A	Solid composition and its production method	2020-08-26
WO-2022044422-A1	Solid composition and method for producing same	2020-08-26
KR-20220014454-A	Display device and light absorber for display device	2020-07-28
US-2022035080-A1	Display device and light absorber for display device	2020-07-28
CN-111747900-A	Novel electronic transmission material	2020-07-20
CN-111607069-A	Conjugated microporous organic polymer based on spiro [3.3] heptane-2, 6-spirofluorene and preparation thereof	2020-06-09
CN-111607069-B	Conjugated microporous organic polymer based on spiro [3.3] heptane-2, 6-spirofluorene and preparation thereof	2020-06-09

Literatures

PMID	Publication Date	Title	Journal
20452208	2010-06-01	Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors	Bioorganic & medicinal chemistry letters
19731939	2009-10-08	Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors	Journal of medicinal chemistry
18186628	2008-08-04	A new class of iridium complexes suitable for stepwise incorporation into linear assemblies: synthesis, electrochemistry, and luminescence	Inorganic chemistry
12109906	2002-07-18	Structure-based approach for binding site identification on AmpC beta-lactamase	Journal of medicinal chemistry

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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