Description

4′-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride) is a high-purity boronic acid derivative with the molecular formula C₁₂H₁₀BBrO₂ and CAS number 480996-05-2. This compound, also known by its IUPAC name [4-(4-bromophenyl)phenyl]boronic acid, is a valuable building block in organic synthesis and pharmaceutical research. The product may contain varying levels of anhydride, which should be considered for stoichiometric calculations. Its unique structure, featuring a brominated biphenyl core and a reactive boronic acid group, makes it an essential reagent for Suzuki-Miyaura cross-coupling reactions, enabling the formation of biaryl structures. Supplied as a white to off-white crystalline powder, it is recommended to store under inert conditions to maintain stability. Ideal for researchers in medicinal chemistry, materials science, and catalysis.

Properties

• CAS Number: 480996-05-2
• Complexity: 209
• IUPAC Name: [4-(4-bromophenyl)phenyl]boronic acid
• InChI: InChI=1S/C12H10BBrO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
• InChI Key: HQAGDFJHKPSZHT-UHFFFAOYSA-N
• Exact Mass: 275.99572
• Molecular Formula: C12H10BBrO2
• Molecular Weight: 276.92
• SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)(O)O
• Topological: 40.5
• Monoisotopic Mass: 275.99572
• Synonyms: 4′-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride), 678-208-1, 4′-Bromo-4-biphenylboronic Acid, 480996-05-2, 4-Bromobiphenyl-4′-boronic acid, [4-(4-bromophenyl)phenyl]boronic Acid, 4-(4-Bromophenyl)phenylboronic Acid, MFCD02251652, C12H10BBrO2, Boronic acid, (4′-bromo[1,1′-biphenyl]-4-yl)-, SCHEMBL297887, 4′-Bromo-4-biphenylboronicAcid, 4′-bromobiphenyl-4-boronic acid, DTXSID90397173, 4-(4-Bromophenyl)benzeneboronic Acid, AKOS003618194, AB11617, CS-W000942, AC-27338, AS-18711, SY051039, DB-010660, B2860, 4 inverted exclamation mark -Bromo-4-biphenylboronic Acid

Application

4′-Bromo-4-biphenylboronic Acid is widely used in palladium-catalyzed cross-coupling reactions, particularly Suzuki-Miyaura couplings, to synthesize complex biaryl structures for pharmaceutical intermediates. It serves as a key precursor in the development of liquid crystals, OLED materials, and organic electronic compounds due to its conjugated biphenyl system. Researchers also employ this reagent in the synthesis of bioactive molecules and polymer frameworks, leveraging its bromine and boronic acid functional groups for sequential modifications.

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 (50%): 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%)

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