What Is 4-Trifluoromethoxyphenylboronic Acid CAS 139301-27-2? Uses, Specifications, and Supplier Considerations

4-Trifluoromethoxyphenylboronic acid, also called 4-(trifluoromethoxy)phenylboronic acid, is an aryl boronic acid used mainly as a synthetic building block in palladium-catalyzed cross-coupling chemistry. Its CAS Registry Number is 139301-27-2, and its molecular formula is generally represented as C₇H₆BF₃O₃, with a calculated molecular weight of approximately 205.93 g/mol. The molecule combines a boronic acid functional group with a para-trifluoromethoxy substituent, giving chemists a route to introduce both an aryl group and a fluorinated ether motif into more complex molecules.

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For B2B buyers, the most important considerations are not only chemical identity but also assay, impurity profile, water content, packaging, documentation, and supply continuity. The correct grade depends on whether the material is required for laboratory screening, process development, medicinal chemistry, or a scale-up route. I recommend confirming the intended reaction, required quantity, analytical standards, and delivery conditions before selecting a supplier.

Identity and Core Chemical Characteristics

Molecular structure and functional groups

4-Trifluoromethoxyphenylboronic acid contains a benzene ring bearing two key substituents in the para position: a boronic acid group and a trifluoromethoxy group. The boronic acid portion is the reactive handle commonly used in Suzuki–Miyaura coupling and related carbon–carbon bond-forming reactions. The trifluoromethoxy group contains three fluorine atoms attached through an oxygen atom, which can influence the electronic and lipophilic properties of downstream molecules.

The molecular formula corresponds to one boron atom, three fluorine atoms, and three oxygen atoms per molecule. Its calculated molecular weight is approximately 205.93 g/mol, which is useful when converting between mass and molar quantities during reaction planning. As with other boronic acids, the material should be evaluated as a reactive intermediate rather than treated as an inert commodity chemical.

What the CAS number confirms

CAS 139301-27-2 identifies the specific chemical substance, but a CAS number alone does not define commercial purity, particle size, residual solvent levels, water content, or packaging configuration. Different suppliers may offer material under the same CAS number with different assay specifications and analytical documentation. I therefore treat the CAS number as the starting point for identification, not as a complete purchasing specification.

Core Functions and Typical Uses

Building block for cross-coupling chemistry

The primary use of 4-trifluoromethoxyphenylboronic acid is as an arylboronic acid coupling partner. In a Suzuki-type reaction, the arylboronic acid can react with a suitable aryl or vinyl halide under an appropriate catalytic and basic system to form a new carbon–carbon bond. The resulting product retains the trifluoromethoxy substituent, allowing this fluorinated feature to be incorporated into pharmaceutical, agrochemical, and advanced organic chemistry programs.

Actual reaction performance depends on the substrate, catalyst, base, solvent, temperature, concentration, and work-up conditions. A supplier should not present one standard reaction outcome as universal evidence of performance. Instead, I recommend using the compound with a documented certificate of analysis and confirming compatibility through a small-scale reaction screen.

Medicinal and discovery chemistry applications

Fluorinated aryl fragments are frequently explored during lead-generation and structure–activity relationship studies because fluorine substitution can alter molecular size, polarity distribution, metabolic behavior, and binding interactions. The trifluoromethoxy group is one option for modifying an aromatic scaffold, while the boronic acid group provides a convenient point for further molecular diversification. This makes CAS 139301-27-2 relevant to researchers preparing compound libraries or analog series.

It is important to distinguish use as a research intermediate from use as an active pharmaceutical ingredient. This compound is generally sourced for synthesis and development work, and its suitability for a regulated pharmaceutical process must be demonstrated through the buyer’s own qualification, analytical, and process-control procedures.

Application Scenarios and Material Options

Typical application scenarios include medicinal chemistry, custom synthesis, route scouting, reference compound preparation, and process research. Some buyers need only a small quantity for parallel reactions, while others require repeat lots for a developing synthetic route. The same chemical name may therefore be purchased in different packaging sizes and under different documentation requirements.

Material options may include research-grade or high-assay product, depending on the supplier’s manufacturing and quality system. Buyers should ask whether the product is supplied as a neat solid, whether it has been tested for water or residual solvents, and whether the analytical method can distinguish the target compound from related aromatic or boronic impurities. If the material is intended for scale-up, a written lot-to-lot consistency plan is more useful than relying on a single small sample.

With competitive price and timely delivery, Maison Chemical sincerely hope to be your supplier and partner.

Key Specifications to Review

A buyer may define a minimum assay such as 98.0% or higher for a research application, but that should be treated as a project-specific acceptance criterion rather than a universal property of every batch. The same principle applies to appearance, water content, and impurity limits. I recommend comparing the buyer’s internal requirements with the supplier’s actual certificate of analysis before placing a purchase order.

Handling, Storage, and Documentation

Handling should follow the supplier’s current safety data sheet and the buyer’s laboratory or plant procedures. Personnel should use suitable personal protective equipment, avoid generating dust, and work with appropriate ventilation because the toxicological profile of a specific product and its impurities must be assessed from available safety documentation. The product should also be protected from conditions that may promote degradation or contamination.

Storage requirements should be confirmed from the product label, SDS, and supplier instructions rather than assumed from the chemical name alone. Buyers commonly review container closure, light exposure, temperature requirements, recommended shelf life, and re-test policy. For moisture-sensitive workflows, documenting the time between opening and use can help improve reproducibility.

For B2B purchasing, the documentation package may include a certificate of analysis, safety data sheet, technical data sheet, batch or lot number, packing list, and commercial invoice. Additional documents may be required for export clearance or internal vendor qualification. I advise buyers to confirm documentation requirements before shipment, especially when the product will enter a regulated development program.

How to Select a Supplier

Technical and quality evaluation

A suitable supplier should be able to clearly identify the product, describe its available grade, and provide batch-specific quality information. Ask whether the material is manufactured or sourced, how lots are inspected, and whether the supplier can support repeat orders with comparable specifications. If the compound is a critical intermediate, the supplier should also explain how deviations, changes, and complaints are managed.

Price should be evaluated together with assay, usable yield, packaging, freight, documentation, and lead time. A lower unit price may not provide the best total cost if the material requires additional purification or causes repeated reaction failures. I recommend requesting a quotation for the required quantity, preferred packaging, destination, Incoterm, and documentation package so that offers can be compared consistently.

Supply continuity and customization

For discovery work, a small sample can establish initial suitability, but scale-up requires more information. Buyers should ask about available pack sizes, minimum order quantity, production or restocking lead time, and the possibility of reserving a future lot. If a custom specification is required, define the critical quality attributes before discussing a development or manufacturing plan.

Maison Chemical supports B2B inquiries for organic boronic acids by helping buyers clarify product identity, intended use, specification expectations, packaging needs, and shipping requirements. We can review the requested CAS number and application context before preparing a quotation. Availability, lead time, and documentation should be confirmed for each order because they can vary by quantity and destination.

Key Takeaways for Buyers

• 4-Trifluoromethoxyphenylboronic acid is an aryl boronic acid intermediate identified by CAS 139301-27-2.
• Its commonly represented molecular formula is C₇H₆BF₃O₃, with a calculated molecular weight of approximately 205.93 g/mol.
• Its principal role is to provide a fluorinated aryl building block for cross-coupling and related synthetic chemistry.
• Assay, water content, residual solvents, impurity profile, packaging, and documentation should be checked before purchase.
• A CAS number confirms identity but does not by itself guarantee a particular purity, grade, or batch performance.

Conclusion: Is This the Right Intermediate for Your Project?

4-Trifluoromethoxyphenylboronic acid CAS 139301-27-2 is a useful synthetic intermediate when a project requires a para-trifluoromethoxy-substituted aryl fragment and a boronic acid coupling handle. Its value is strongest in medicinal chemistry, custom synthesis, and process-development routes where controlled molecular diversification is required. However, suitability depends on the reaction system and the quality requirements of the final application.

The next step is to define your required quantity, target assay, analytical documents, packaging, and delivery destination. Send these details to Maison Chemical for a product and supply review, and we can help assess the appropriate specification and commercial route. A clear technical brief at the inquiry stage helps reduce sourcing risk and supports a more reliable procurement decision.

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