Description

3,4-Difluorobenzeneboronic acid (CAS No. 168267-41-2) is a high-purity boronic acid derivative with the molecular formula C₆H₅BF₂O₂. This compound, also known as (3,4-difluorophenyl)boronic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring two fluorine substituents on the benzene ring, enhances its reactivity in Suzuki-Miyaura cross-coupling reactions, making it invaluable for constructing complex biaryl systems. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in sensitive applications. Proper storage under inert conditions (2-8°C) is recommended to maintain stability. Ideal for researchers in medicinal chemistry, materials science, and catalysis.

Properties

• CAS Number: 168267-41-2
• Complexity: 134
• IUPAC Name: (3,4-difluorophenyl)boronic acid
• InChI: InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
• InChI Key: RMGYQBHKEWWTOY-UHFFFAOYSA-N
• Exact Mass: 158.0350659
• Molecular Formula: C6H5BF2O2
• Molecular Weight: 157.91
• SMILES: B(C1=CC(=C(C=C1)F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 158.0350659
• Synonyms: (3,4-difluorophenyl)boronic acid, 3,4-Difluorobenzeneboronic acid, 605-510-2, 3,4-Difluorophenylboronic acid, 168267-41-2, BORONIC ACID, B-(3,4-DIFLUOROPHENYL)-, MFCD00807405, 3,4-difluoro phenylboronic acid, 3,4-difluorophenyl boronic acid, (3,4-Difluorophenyl)Boranediol, BORONIC ACID, (3,4-DIFLUOROPHENYL)-, 3,4-Difluorobenylboronic acid, 3,4-difluorphenylboronic acid, AKOS BRN-0090, SCHEMBL128893, 3,4-diflurophenyl boronic acid, (3,4-difluorophenyl)boronicacid, 3,4-di-fluorophenylboronic acid, 3,4-difluoro-phenylboronic acid, 3,4-difluoro-benzeneboronic acid, 3,4-difluorobenzene boronic acid, DTXSID30370228, ALBB-006122, BCP22748, CS-D1003, dihydroxy(3,4-difluorophenyl)borane, SBB048075, STK009924, B-(3,4-difluorophenyl)-boronic acid, AKOS000264712, AB07331, AC-5381, BCP9000262, GS-6748, [3,4-bis(fluoranyl)phenyl]boronic acid, BP-10722, HY-32886, SY007939, DB-028255, D3350, EN300-117462, A810954, Z57073894, F0001-4664, 3,4-Difluorophenylboronic Acid (contains varying a mounts of Anhydride), 3,4-Difluorophenylboronic acid (contains varying amounts of Anhydride)

Application

3,4-Difluorobenzeneboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to synthesize fluorinated biaryl compounds for pharmaceutical and agrochemical applications. Its electron-withdrawing fluorine groups enhance reactivity in palladium-catalyzed transformations. Researchers also employ it to develop novel materials, such as organic semiconductors and liquid crystals, leveraging its structural rigidity. Additionally, it serves as a precursor for boron-containing probes in biochemical studies.

Safety and Hazards

GHS Hazard Statements

• H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (20%)
• Acute Tox. 4 (20%)
• Skin Irrit. 2 (90%)
• Eye Irrit. 2 (90%)
• Acute Tox. 4 (20%)
• STOT SE 3 (80%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.