Boronic acid, 4-dibenzothienyl-


Chemical Name: Boronic acid, 4-dibenzothienyl-
CAS Number: 108847-20-7
Product Number: AG00340N(AGN-PC-0KK6I2)
Synonyms:
MDL No: MFCD01318182
Molecular Formula: C12H9BO2S
Molecular Weight: 228.0747

Identification/Properties


Properties
MP:
327-330 °C
BP:
480.174 °C at 760 mmHg.
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
228.072g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
228.042g/mol
Monoisotopic Mass:
228.042g/mol
Topological Polar Surface Area:
68.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
261
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Dibenzothiophene-4-boronic acid is a versatile compound widely used in chemical synthesis as a key building block for the preparation of various organic molecules. With its unique boronic acid functionality, this compound serves as a vital reagent in the Suzuki-Miyaura cross-coupling reaction, a powerful tool in organic chemistry for the formation of carbon-carbon bonds.In the field of medicinal chemistry, Dibenzothiophene-4-boronic acid is utilized in the synthesis of pharmaceuticals and biologically active compounds. Its ability to participate in coupling reactions with a range of substrates allows for the efficient creation of complex molecular structures with potential therapeutic applications.Furthermore, Dibenzothiophene-4-boronic acid plays a crucial role in materials science, particularly in the development of organic semiconductors and optoelectronic devices. Through its incorporation into conjugated polymers and materials, this compound contributes to the enhancement of electronic properties and the fabrication of advanced materials for various technological applications.