Description

2,6-Difluorophenylboronic acid (CAS No. 162101-25-9) is a high-purity boronic acid derivative with the molecular formula C₆H₅BF₂O₂, widely utilized in organic synthesis and pharmaceutical research. This compound, also known as (2,6-difluorophenyl)boronic acid, features two fluorine atoms ortho to the boronic acid group, enhancing its reactivity in Suzuki-Miyaura cross-coupling reactions. Its crystalline structure and stability under inert conditions make it ideal for precise synthetic applications. Available in ≥95% purity (HPLC), it is rigorously tested for moisture-sensitive storage requirements. Suitable for researchers in medicinal chemistry, material science, and catalysis, this reagent is packaged under argon to ensure longevity and performance.

Properties

• CAS Number: 162101-25-9
• Complexity: 124
• IUPAC Name: (2,6-difluorophenyl)boronic acid
• InChI: InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
• InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N
• Exact Mass: 158.0350659
• Molecular Formula: C6H5BF2O2
• Molecular Weight: 157.91
• SMILES: B(C1=C(C=CC=C1F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 158.0350659
• Synonyms: 2,6-Difluorophenylboronic acid, 162101-25-9, diorthofluorophenylboronic acid, DTXSID70370227, DTXCID60321263, 627-874-1, 2,6-Difluorobenzeneboronic Acid, (2,6-difluorophenyl)boronic Acid, MFCD00792436, BORONIC ACID, B-(2,6-DIFLUOROPHENYL)-, (2,6-Difluorophenyl)Boranediol, BORONIC ACID, (2,6-DIFLUOROPHENYL)-, 2,6-Difluorophenylboronicacid, 2,6-Difluorobenylboronic acid, SCHEMBL146988, 2,6 difluorophenylboronic acid, 2,6 difluorophenyl boronic acid, 2,6-difluoro-phenylboronic acid, 2,6-difluorophenyl boronic acid, 2,6-difluorophenyl-boronic acid, (2,6-difluorophenyl)-boronic acid, SBB087252, 2,6-Difluorophenylboronic acid, 98%, AKOS000285072, AB07099, AC-1419, CS-W009261, GS-6744, HY-32885, SY023631, DB-027684, D3087, EN300-117677, Z381540882, 2,6-Difluorobenzeneboronic Acid (contains varying amounts of Anhydride)

Application

2,6-Difluorophenylboronic acid is a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceuticals and agrochemicals. Its ortho-fluorine substitution pattern enhances steric and electronic effects in catalytic systems. Researchers also employ it in the development of boron-based sensors and functional materials. The compound’s stability and reactivity make it valuable for constructing complex molecular architectures in drug discovery.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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