[3-bromo-5-(trifluoromethyl)phenyl]boronic acid|913835-64-0,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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[3-bromo-5-(trifluoromethyl)phenyl]boronic acid

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Chemical Name:	[3-bromo-5-(trifluoromethyl)phenyl]boronic acid
CAS Number:	913835-64-0
Product Number:	AG00GSYC(AGN-PC-0786HN)
Synonyms:
MDL No:
Molecular Formula:	C7H5BBrF3O2
Molecular Weight:	268.8236

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

268.824g/mol

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

267.952g/mol

Monoisotopic Mass:

267.952g/mol

Topological Polar Surface Area:

40.5A^2

Heavy Atom Count:

Formal Charge:

Complexity:

200

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H315-H319-H335

Precautionary Statements:

P261-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

(3-Bromo-5-(trifluoromethyl)phenyl)boronic acid is a powerful and versatile reagent widely used in organic synthesis. It serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure and properties make it a valuable tool in the synthesis of complex organic compounds.In chemical synthesis, this boronic acid derivative is utilized as a vital intermediate in the formation of carbon-carbon and carbon-heteroatom bonds. It can participate in Suzuki-Miyaura cross-coupling reactions, allowing for the efficient construction of biaryl compounds. Additionally, it can be employed in palladium-catalyzed coupling reactions to form arylboronate esters, which can further undergo diverse transformations.Moreover, (3-Bromo-5-(trifluoromethyl)phenyl)boronic acid plays a crucial role in the functionalization of aromatic rings and the introduction of highly valuable trifluoromethyl groups into organic molecules. This enables chemists to access a wide range of structurally diverse and biologically active compounds that are important in drug discovery and other fields of research.Overall, the application of (3-Bromo-5-(trifluoromethyl)phenyl)boronic acid in chemical synthesis offers synthetic chemists a powerful tool to expedite the construction of complex molecules with diverse functionalities and applications.