Boronic acid, (2,3,4-trifluorophenyl)-


Chemical Name: Boronic acid, (2,3,4-trifluorophenyl)-
CAS Number: 226396-32-3
Product Number: AG00I4GJ(AGN-PC-0KL28R)
Synonyms:
MDL No: MFCD01863168
Molecular Formula: C6H4BF3O2
Molecular Weight: 175.9010

Identification/Properties


Computed Properties
Molecular Weight:
175.901g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
176.026g/mol
Monoisotopic Mass:
176.026g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
158
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



2,3,4-Trifluorobenzeneboronic acid is a highly versatile compound widely utilized in chemical synthesis due to its unique reactivity and functionality. As a boronic acid derivative, it serves as a valuable building block in the formation of carbon-carbon bonds through Suzuki-Miyaura cross-coupling reactions. This compound is particularly prized for its ability to introduce trifluoromethyl groups into organic molecules, a feature that is highly sought after in medicinal chemistry and materials science. Through strategic incorporation of 2,3,4-Trifluorobenzeneboronic acid into synthetic pathways, chemists can access a diverse array of fluorinated compounds with enhanced properties and potential applications in drug discovery, agrochemicals, and advanced materials research.