Boronic acid, (3-fluoro-2-methylphenyl)-


Chemical Name: Boronic acid, (3-fluoro-2-methylphenyl)-
CAS Number: 163517-61-1
Product Number: AG001U66(AGN-PC-0KL26E)
Synonyms:
MDL No:
Molecular Formula: C7H8BFO2
Molecular Weight: 153.9466

Identification/Properties


Computed Properties
Molecular Weight:
153.947g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
154.06g/mol
Monoisotopic Mass:
154.06g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
132
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



(3-Fluoro-2-methylphenyl)boronic acid is a versatile compound commonly used in chemical synthesis procedures. This compound plays a crucial role as a boronic acid derivative in various organic reactions. Its unique properties make it a valuable building block in the preparation of a wide range of pharmaceuticals, agrochemicals, and advanced materials. In synthetic chemistry, it acts as a key component for Suzuki-Miyaura coupling reactions, which are fundamental in forming carbon-carbon bonds. Additionally, this compound can serve as a key intermediate in the synthesis of complex molecules by facilitating cross-coupling with various aryl and heteroaryl halides under mild conditions. Its strategic use in organic transformations highlights its significance in the development of new chemical entities and the expansion of synthetic methodologies.