Boronic acid, (3,5-difluorophenyl)-


Chemical Name: Boronic acid, (3,5-difluorophenyl)-
CAS Number: 156545-07-2
Product Number: AG001OSE(AGN-PC-0KK6IB)
Synonyms:
MDL No: MFCD01318138
Molecular Formula: C6H5BF2O2
Molecular Weight: 157.9105

Identification/Properties


Properties
MP:
210-217 °C
BP:
266.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
157.911g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
158.035g/mol
Monoisotopic Mass:
158.035g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
124
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

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NMR Spectrum


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Chemical Structure



The 3,5-Difluorophenylboronic acid is a versatile compound widely utilized in chemical synthesis. One of its key applications is in Suzuki-Miyaura cross-coupling reactions, where it serves as a crucial boronic acid building block. This reaction involves the coupling of an aryl or vinyl boronic acid with an organic halide or pseudohalide in the presence of a palladium catalyst to form a new carbon-carbon bond. Furthermore, 3,5-Difluorophenylboronic acid is utilized in the preparation of complex pharmaceutical compounds, agrochemicals, and materials science. Its unique fluorine substituents offer enhanced reactivity and selectivity in various transformations, making it a valuable tool for organic chemists. Additionally, this compound can be used as a precursor for the introduction of the difluorophenyl group into target molecules, providing a way to modulate their properties for specific applications.