(3-chloro-2-hydroxyphenyl)boronic acid


Chemical Name: (3-chloro-2-hydroxyphenyl)boronic acid
CAS Number: 951655-50-8
Product Number: AG005T5Q(AGN-PC-07ATT7)
Synonyms:
MDL No:
Molecular Formula: C6H6BClO3
Molecular Weight: 172.3740

Identification/Properties


Properties
BP:
338.8±52.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.371g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
172.01g/mol
Monoisotopic Mass:
172.01g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
133
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-Chloro-2-hydroxyphenyl)boronic acid is a versatile compound widely used in chemical synthesis for its unique reactivity and functional group compatibility. One of its key applications is as a valuable building block in Suzuki-Miyaura cross-coupling reactions, a powerful tool in organic chemistry for forming carbon-carbon bonds. This boronic acid derivative serves as a crucial component in these reactions, enabling the synthesis of complex organic molecules with high efficiency and selectivity. Additionally, (3-Chloro-2-hydroxyphenyl)boronic acid can also participate in various other transformations, including halogen-metal exchange reactions and palladium-catalyzed coupling reactions, further expanding its utility in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its strategic placement of functional groups allows for precise control over regioselectivity and stereoselectivity in synthetic pathways, making it a valuable tool for chemists working in the field of organic synthesis.