Boronic acid, (3-chloro-5-methylphenyl)-


Chemical Name: Boronic acid, (3-chloro-5-methylphenyl)-
CAS Number: 913836-14-3
Product Number: AG006BHK(AGN-PC-0378C0)
Synonyms:
MDL No: MFCD09027241
Molecular Formula: C7H8BClO2
Molecular Weight: 170.4012

Identification/Properties


Properties
MP:
235-238 °C
BP:
336.3 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.399g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
170.031g/mol
Monoisotopic Mass:
170.031g/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#:
N/A
Hazard Statements:
H302-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



(3-Chloro-5-methylphenyl)boronic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. As a boronic acid derivative, it serves as a valuable building block in the field of organic chemistry. One of the key applications of (3-Chloro-5-methylphenyl)boronic acid is its role as a reagent in Suzuki-Miyaura cross-coupling reactions. This powerful and widely-used synthetic method involves the coupling of an aryl or vinyl boronic acid with an organic halide or pseudohalide in the presence of a palladium catalyst. In this reaction, (3-Chloro-5-methylphenyl)boronic acid acts as a nucleophilic partner, forming a new carbon-carbon bond and allowing for the synthesis of complex organic molecules.Furthermore, (3-Chloro-5-methylphenyl)boronic acid can also be utilized in the synthesis of pharmaceuticals, agrochemicals, and materials science. Its ability to undergo various transformations, such as oxidation, reduction, and nucleophilic substitution, makes it a valuable tool for the construction of diverse chemical structures.In conclusion, the unique properties of (3-Chloro-5-methylphenyl)boronic acid make it an indispensable reagent in the realm of chemical synthesis, enabling the efficient and strategic construction of complex organic molecules for a variety of applications.