4,4'-Biphenyldiboronic Acid
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
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
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
242.0921692 g/mol
Monoisotopic Mass
242.0921692 g/mol
Topological Polar Surface Area
80.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
221
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
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 |
