[2-bromo-5-(trifluoromethoxy)phenyl]boronic acid


Chemical Name: [2-bromo-5-(trifluoromethoxy)phenyl]boronic acid
CAS Number: 957034-55-8
Product Number: AG003BLS(AGN-PC-078TD2)
Synonyms:
MDL No:
Molecular Formula: C7H5BBrF3O3
Molecular Weight: 284.8230

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
284.823g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
283.947g/mol
Monoisotopic Mass:
283.947g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
214
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The (2-Bromo-5-(trifluoromethoxy)phenyl)boronic acid is a versatile and highly valuable compound in chemical synthesis. This compound serves as a key building block in the creation of various functional molecules and pharmaceuticals due to its unique properties. In chemical synthesis, (2-Bromo-5-(trifluoromethoxy)phenyl)boronic acid is commonly used as a boronic acid derivative for Suzuki-Miyaura cross-coupling reactions. This method allows for the formation of carbon-carbon bonds under mild conditions, making it a valuable tool for the synthesis of complex organic compounds. Additionally, the trifluoromethoxy group present in this compound provides enhanced lipophilicity and electronic properties to the molecules being synthesized. This can be particularly useful in drug discovery and development, where small modifications in the structure of a compound can greatly impact its biological activity and pharmacokinetic properties. Overall, the (2-Bromo-5-(trifluoromethoxy)phenyl)boronic acid plays a crucial role in the field of chemical synthesis by enabling the creation of diverse and functional molecules with applications in various industries, including pharmaceuticals, materials science, and agrochemicals.