What Is 4-Trifluoromethoxyphenylboronic Acid CAS 139301-27-2? Properties, Uses, and Specifications
4-Trifluoromethoxyphenylboronic acid, also called 4-(trifluoromethoxy)phenylboronic acid, is an organoboron compound used primarily as a building block in carbon–carbon bond formation. Its boronic acid group is attached to a phenyl ring bearing a para-trifluoromethoxy substituent. The compound is identified by CAS number 139301-27-2, has the molecular formula C7H6BF3O3, and a molar mass of approximately 205.93 g/mol. For procurement, buyers should confirm the required assay, appearance, packaging, and documentation against the batch-specific specification rather than assume these details from the chemical name alone.
Key Takeaways
- CAS 139301-27-2 identifies 4-(trifluoromethoxy)phenylboronic acid, a para-substituted arylboronic acid.
- Its structure combines one boronic acid group with a trifluoromethoxy substituent containing three fluorine atoms per molecule.
- Its main synthetic role is as an aryl coupling partner, especially in Suzuki–Miyaura cross-coupling, subject to reaction-specific optimization.
- Purity, test methods, packaging, and storage requirements should be confirmed for the actual lot before purchase or use.
Identity and Core Properties
Structure and chemical identity
The molecule consists of a phenyl ring substituted at the para position by an –OCF3 group and connected to a boronic acid group, –B(OH)2. It contains one boronic acid functionality per molecule, which is the reactive site used in many cross-coupling applications. The trifluoromethoxy group contributes three fluorine atoms and can influence the electronic and physicochemical characteristics of the aromatic ring. The molecule’s formula and molar mass are useful for identity checks and for calculating reagent quantities.
| Identification item | Information |
|---|---|
| Preferred name | 4-(Trifluoromethoxy)phenylboronic acid |
| Common name | 4-Trifluoromethoxyphenylboronic acid |
| CAS number | 139301-27-2 |
| Molecular formula | C7H6BF3O3 |
| Molar mass | Approximately 205.93 g/mol |
| Key functional group | One arylboronic acid group, –B(OH)2 |
Properties to check before use
The compound is supplied as a solid in commercial chemical channels, but the exact appearance and physical characteristics should be verified using the supplier’s current product information and lot documentation. Solubility can depend on solvent, concentration, temperature, and sample condition, so a general description should not replace a solvent-specific check. Boronic acids may be sensitive to moisture and other handling conditions, and their stability can vary with storage and exposure. We recommend following the supplied safety data sheet and batch instructions for handling and storage.
Core Function and Uses
Role in carbon–carbon bond formation
The principal synthetic function of 4-trifluoromethoxyphenylboronic acid is to transfer its substituted aryl group into a larger molecule. It is commonly considered for Suzuki–Miyaura cross-coupling with an appropriate organic halide or related coupling partner in the presence of a suitable catalyst and reaction system. The product structure depends on the selected partner, catalyst, base, solvent, and process conditions. As a result, the reagent’s use is best understood as a building-block option rather than a guarantee of a specific reaction outcome.
Application scenarios
Researchers and process chemists may evaluate this reagent when a target structure calls for a para-trifluoromethoxyphenyl group. Potential work includes medicinal chemistry synthesis, discovery chemistry, and the preparation of specialty organic intermediates. The fluorinated substituent may be selected as part of a broader structure–property design strategy, but its effect must be assessed in the context of the complete molecule. Buyers should match the reagent to a defined target transformation and verify compatibility through their own method development.
Specifications and Quality Evaluation
A specification describes what a supplier commits to for a particular product or lot; it should not be inferred solely from the CAS number. Commercial grades and available test items can differ, so compare the offered specification with the needs of your research or manufacturing process. Typical points for review include identity, assay or purity, appearance, residual solvents or impurities where relevant, and the analytical method used for release. Confirm acceptance limits and test methods in writing before placing an order.
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What to request from a supplier
- Identity: Confirm the product name, CAS number, molecular formula, and lot identification.
- Assay or purity: Request the stated value, acceptance range, and test method for the offered grade.
- Appearance and handling: Ask for the current product description and applicable storage and handling recommendations.
- Documentation: Confirm which batch-specific documents, such as a certificate of analysis and safety data sheet, are available for the order.
- Packaging: Verify net quantity, container type, and any special packing requirements before shipment.
For reaction planning, calculate reagent quantity using the molar mass of approximately 205.93 g/mol and the assay specified for the lot. A nominal charge of 1.0 molar equivalent is a calculation reference, not a universal recipe; the appropriate loading depends on the reaction and should be established experimentally. If a method uses a mass-based charge, correct the calculation for assay when the specification or project protocol calls for it. Keep the identity, assay, and calculation basis consistent across laboratory records and purchasing documents.
Buyer Selection Factors
Fit the grade to the project
Start by defining the intended use: exploratory synthesis may have different acceptance criteria from a route intended for scale-up or regulated development. Set the minimum purity, impurity controls, and analytical evidence required by your internal quality system. Then confirm whether the quoted material meets those criteria and whether the supplier can support the quantity and packaging you need. If the required limits are unusually narrow, provide them at the inquiry stage so the supplier can assess feasibility rather than quote against an assumed grade.
Assess supply and documentation
Commercial decisions should consider more than price per unit. Ask about available quantity, lead time, shipping conditions, export documentation, and whether the quoted schedule depends on stock or production. For repeat orders, clarify how specification changes, lot traceability, and advance notice of supply changes will be handled. These checks help buyers compare offers on a like-for-like basis without relying on unverified claims about availability or performance.
Supplier Support from Maison Chemical
Maison Chemical supplies chemicals for business customers and supports inquiries for 4-trifluoromethoxyphenylboronic acid CAS 139301-27-2. We can discuss the required grade, target quantity, packaging, destination, and documentation needs so that the quotation reflects the project rather than a generic product description. Product availability, specification, and lead time should be confirmed for each inquiry and order. Buyers can also share their requested acceptance criteria for review before confirming a purchase.
Conclusion: Is This the Right Reagent?
4-Trifluoromethoxyphenylboronic acid is a para-substituted arylboronic acid with CAS 139301-27-2, formula C7H6BF3O3, and a molar mass of approximately 205.93 g/mol. Its key value is its use as a source of a trifluoromethoxy-substituted aryl group in suitable coupling chemistry. It may be appropriate when that structural unit is required, provided the reaction partner and conditions are compatible. Before ordering, confirm the specification, lot documentation, quantity, packaging, and delivery requirements with Maison Chemical to support an informed sourcing decision.