What Is 3-Fluoro-2-methylbenzeneboronic Acid (CAS 163517-61-1)? Properties, Uses, and Supplier Information

Author: yongtuo

Aug. 18, 2026

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What Is 3-Fluoro-2-methylbenzeneboronic Acid (CAS 163517-61-1)? Properties, Uses, and Supplier Information

3-Fluoro-2-methylbenzeneboronic acid, identified by CAS No. 163517-61-1, is an aromatic boronic acid used primarily as an intermediate in organic synthesis. Its structure combines a boronic acid group with a fluorine substituent and a methyl substituent on a benzene ring, giving chemists a functional building block for selective carbon–carbon bond formation. Based on its molecular composition, its molecular formula is commonly represented as C7H8BFO2, with a calculated molecular weight of approximately 153.95 g/mol. At Maison Chemical, I treat this product as a research and synthesis intermediate that should be evaluated by identity, assay, impurity profile, packaging, and project-specific handling requirements.

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Direct Definition and Chemical Identity

3-Fluoro-2-methylbenzeneboronic acid belongs to the family of aryl boronic acids, also called aromatic boronic acids. The boronic acid group, –B(OH)2, is attached directly to an aromatic ring, while fluorine and methyl groups modify the electronic and steric environment around that ring. The position of each substituent matters because it can influence reaction selectivity, solubility, purification behavior, and compatibility with other reagents.

The product is not normally purchased as a final pharmaceutical active ingredient. Instead, it is typically used as a synthetic intermediate in medicinal chemistry, agrochemical research, fine chemical development, and related laboratory or process chemistry programs. The exact appearance, assay, water content, and stability can vary with manufacturing method, isolation procedure, and storage conditions, so buyers should verify the current specification rather than rely only on a catalog description.

Core Functions in Organic Synthesis

Suzuki–Miyaura Coupling Building Block

The most important synthetic function of this compound is participation in palladium-catalyzed Suzuki–Miyaura coupling. In a typical coupling, the aryl boronic acid reacts with an aryl or vinyl halide under suitable catalytic and basic conditions to form a new carbon–carbon bond. This transformation allows chemists to introduce a fluoro-methyl-substituted aromatic fragment into a larger molecule.

The boronic acid group is valuable because it can be activated under coupling conditions and converted into a bond-forming partner. However, successful conversion depends on the reaction substrate, catalyst, base, solvent, temperature, water content, and purification strategy. I therefore recommend treating the product as a versatile coupling reagent, not as a guarantee of conversion under every process condition.

Electronic and Steric Design Value

The fluorine atom can influence the electronic properties, lipophilicity, and metabolic behavior of a downstream molecule, while the methyl group adds hydrophobic and steric character. These effects are relevant when researchers are exploring structure–activity relationships or optimizing a synthetic series. The specific result depends on the complete molecular structure and cannot be predicted from this intermediate alone.

Potential Application Scenarios

In pharmaceutical research, 3-fluoro-2-methylbenzeneboronic acid may be selected to introduce a substituted aryl group into small-molecule candidates. Medicinal chemistry teams often need a broad range of regioisomerically defined building blocks because changing the position of fluorine or methyl groups can produce different biological and physicochemical outcomes. This product can therefore support parallel synthesis and route exploration when the required substitution pattern matches the target structure.

In agrochemical and specialty chemical development, the compound may serve as an intermediate for constructing substituted aromatic frameworks. It may also be considered in custom synthesis programs where a fluorinated and methylated phenyl fragment is required. These are potential use cases rather than universal applications; the buyer should confirm route compatibility through laboratory evaluation or process-development testing.

Key Properties and Specifications

Item Information for Buyer Review
Product name 3-Fluoro-2-methylbenzeneboronic acid
CAS number 163517-61-1
Expected molecular formula C7H8BFO2
Calculated molecular weight Approximately 153.95 g/mol
Functional group Aryl boronic acid
Primary use Organic synthesis and cross-coupling research

For purchasing decisions, the most useful specification package normally includes assay, identification data, relevant impurity information, water content where applicable, residual solvent information, and batch details. Depending on the intended use, buyers may request HPLC, GC, NMR, or other analytical records that are appropriate for the material. I advise customers to compare the requested test method with their internal quality system because different methods may produce results that are not directly interchangeable.

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Handling, Storage, and Packaging Considerations

As with many boronic acid intermediates, this material should be handled according to the supplier’s safety data sheet and the buyer’s chemical management procedures. Personnel should use suitable protective equipment, avoid unnecessary dust generation, and work with appropriate ventilation. The product should not be handled as though its downstream pharmaceutical or chemical application automatically defines its hazard profile.

Storage should be based on the confirmed product specification and stability information supplied for the relevant batch. In practice, buyers commonly request a tightly closed container, protection from moisture, and a controlled environment; some projects may specify refrigerated storage such as 2–8 °C, but that condition should be confirmed rather than assumed. Packaging size, container material, secondary containment, and transport requirements should be reviewed before shipment, especially for international procurement.

How Buyers Should Select This Intermediate

Confirm Identity Before Comparing Price

The first step is to confirm the exact name, CAS number, structure, and substitution pattern. Fluoro-methylbenzeneboronic acid isomers can have different positions and different reactivity, so a similar-looking product is not necessarily an acceptable substitute. I recommend matching the supplier’s product name and CAS number with the structure in the buyer’s route documentation.

Match Quality to the Project Stage

Discovery-scale experiments may require a reliable research grade with appropriate identity and assay data, while process development may require tighter control of impurities, water, residual solvents, and lot-to-lot consistency. A buyer should also confirm whether the material is supplied as the free boronic acid or in another form, because the form can affect weighing, solubility, and reaction setup. If the compound will enter a regulated development workflow, quality and documentation expectations should be agreed before order placement.

Evaluate Supply Continuity

Price alone does not show the full sourcing risk. Buyers should review available pack sizes, minimum order quantity, lead time, production location, documentation, shipping conditions, and the supplier’s ability to support repeat orders. For a route that depends on one specific building block, confirming a realistic replenishment plan can be as important as the initial quotation.

Maison Chemical Supplier Support

At Maison Chemical, I support B2B buyers by organizing product discussions around the intended application, required quantity, quality level, and delivery destination. We can review the requested CAS number, target specification, packaging preference, and documentation needs before preparing a quotation. This approach helps distinguish a laboratory sample request from a larger development or manufacturing requirement.

Our support can include confirmation of available grades or batch information, discussion of suitable packaging, and coordination of shipping requirements subject to product and destination review. Where a buyer has a defined analytical specification, I recommend sending it with the inquiry so that the proposed material can be evaluated against the actual project criteria. Availability, MOQ, lead time, and commercial terms should always be confirmed for the specific order because they may change by quantity and production schedule.

Summary Insight

  • 3-Fluoro-2-methylbenzeneboronic acid, CAS 163517-61-1, is an aromatic boronic acid intermediate.
  • Its principal synthetic role is as a coupling partner for forming substituted biaryl or related carbon–carbon bonds.
  • The commonly represented formula is C7H8BFO2, with a calculated molecular weight of approximately 153.95 g/mol.
  • Buyers should confirm identity, assay, impurity profile, water or residual solvent requirements, packaging, storage, MOQ, and lead time.
  • The correct specification depends on whether the material is intended for early research, route development, or repeat production.

Conclusion and Next Steps

3-Fluoro-2-methylbenzeneboronic acid is a defined fluorinated aryl boronic acid used mainly to introduce a 3-fluoro-2-methylphenyl fragment during organic synthesis. Its value comes from the combination of a reactive boronic acid group and substituent features that may be useful in medicinal chemistry, agrochemical research, and specialty chemical development. It should be selected by exact structure and project specification rather than by general similarity to another boronic acid.

For the next step, prepare the required quantity, target assay, analytical documentation, packaging, destination, and desired delivery schedule. Send these details to Maison Chemical for a product and supply review, and I can help clarify the appropriate commercial route without making assumptions about grade, storage, or availability. A well-defined inquiry gives both sides a stronger basis for evaluating technical suitability and long-term supply.

Contact us to discuss your requirements of 3-Fluoro-2-methylbenzeneboronic acid CAS 163517-61-1. Our experienced sales team can help you identify the options that best suit your needs.

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