Boronic acid, (2,3-difluorophenyl)-


Chemical Name: Boronic acid, (2,3-difluorophenyl)-
CAS Number: 121219-16-7
Product Number: AG003FIN(AGN-PC-0KK6I6)
Synonyms:
MDL No: MFCD01863170
Molecular Formula: C6H5BF2O2
Molecular Weight: 157.9105

Identification/Properties


Properties
MP:
95 °C (dec.);
BP:
274.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
157.911g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
158.035g/mol
Monoisotopic Mass:
158.035g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
134
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


PNMR/23-difluorophenylboronic_acid-121219-16-7-hnmr.pdf

Other Analytical Data


POTHER/23-difluorophenylboronic_acid-121219-16-7-hplc.pdf

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Chemical Structure



2,3-Difluorophenylboronic acid is a versatile chemical compound that is widely used in chemical synthesis due to its unique properties. This compound is commonly employed as a building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its ability to participate in Suzuki-Miyaura cross-coupling reactions makes it a valuable tool for the formation of carbon-carbon bonds, allowing chemists to construct complex molecular structures efficiently. Additionally, 2,3-Difluorophenylboronic acid can be utilized in the synthesis of fluorinated aromatic compounds, which are important in medicinal chemistry for enhancing bioavailability and metabolic stability. By incorporating this compound into synthetic routes, researchers can access novel molecules with enhanced properties for a wide range of applications in the fields of pharmaceuticals, materials science, and chemical research.