Description

3-Amino-4-fluorobenzeneboronic acid (CAS No. 873566-75-7) is a high-purity boronic acid derivative with the molecular formula C₆H₇BFNO₂, widely utilized in organic synthesis, pharmaceutical research, and materials science. This compound features a boronic acid functional group (-B(OH)₂) attached to a fluorinated and aminated benzene ring, making it a versatile building block for Suzuki-Miyaura cross-coupling reactions. Its IUPAC name, (3-amino-4-fluorophenyl)boronic acid, reflects its precise structural configuration. Ideal for researchers and scientists, this reagent is rigorously tested for consistency, stability, and reactivity, ensuring optimal performance in complex synthetic pathways. Available in various quantities, it is packaged under inert conditions to maintain integrity.

Properties

• CAS Number: 873566-75-7
• Complexity: 136
• IUPAC Name: (3-amino-4-fluoro-phenyl)boronic acid
• InChI: InChI=1S/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
• InChI Key: SYBMNJPUZMUPGQ-UHFFFAOYSA-N
• Exact Mass: 155.0553868
• Molecular Formula: C6H7BFNO2
• Molecular Weight: 154.94
• SMILES: B(C1=CC(=C(C=C1)F)N)(O)O
• Topological: 66.5
• Monoisotopic Mass: 155.0553868
• Synonyms: 3-AMINO-4-FLUOROPHENYLBORONIC ACID, 3-Amino-4-fluorobenzeneboronic acid, 108-495-6, 689-890-5, 873566-75-7, (3-amino-4-fluorophenyl)boronic acid, MFCD03092925, 3-AMINO-4-FLUOROPHENYLBORONICACID, Boronic acid, (3-amino-4-fluorophenyl)-, (3-amino-4-fluoro-phenyl)boronic acid, SCHEMBL391536, DTXSID00620707, SYBMNJPUZMUPGQ-UHFFFAOYSA-N, 3-amino-4-fluoro phenylboronic acid, BBL100670, SBB070052, STL554464, AKOS005145886, AB13157, PS-9554, SY010104, CS-0157158, 3-Amino-4-fluorophenylboronic acid, AldrichCPR, N11805, EN300-6769440

Application

3-Amino-4-fluorobenzeneboronic acid is a key intermediate in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals and agrochemicals. Its boronic acid group enables efficient cross-coupling reactions, facilitating the construction of biaryl compounds. The amino and fluorine substituents enhance its utility in designing targeted drug candidates, such as kinase inhibitors or PET imaging agents. Researchers also employ it in material science for creating functionalized polymers or sensors. Its stability and reactivity make it a preferred choice for high-throughput and precision chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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