Boronic acid, [3-(trifluoromethyl)phenyl]-


Chemical Name: Boronic acid, [3-(trifluoromethyl)phenyl]-
CAS Number: 1423-26-3
Product Number: AG001I5I(AGN-PC-0KK6JG)
Synonyms:
MDL No:
Molecular Formula: C7H6BF3O2
Molecular Weight: 189.9275

Identification/Properties


Properties
MP:
163-166 °C
BP:
268.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
189.928g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
190.041g/mol
Monoisotopic Mass:
190.041g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
172
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:
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-(Trifluoromethyl)Phenylboronic Acid serves as a versatile building block in chemical synthesis due to its unique properties. It is widely utilized in the synthesis of pharmaceuticals, agrochemicals, and functional materials. In organic chemistry, this compound is often employed as a key reagent in cross-coupling reactions to introduce the trifluoromethylphenyl group into a target molecule. Its ability to form stable boronate esters makes it a valuable tool in Suzuki-Miyaura coupling reactions, enabling the formation of carbon-carbon bonds under mild conditions. Additionally, the trifluoromethyl group can impart desirable physical and chemical properties to the final products, enhancing their biological activities or material characteristics. This compound plays a crucial role in the design and synthesis of novel compounds with potential applications in various scientific fields.