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Methyl 2-Bromo-5-Fluorobenzoate

    • Product Name Methyl 2-Bromo-5-Fluorobenzoate
    • Alias Methyl 2-bromo-5-fluorobenzoate
    • Einecs 841-817-1
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
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    Specifications

    HS Code

    628548

    Product Name Methyl 2-Bromo-5-Fluorobenzoate
    Cas Number 144584-16-7
    Molecular Formula C8H6BrFO2
    Molecular Weight 233.04 g/mol
    Appearance White to off-white solid
    Melting Point 39-41 °C
    Boiling Point 261.4 °C at 760 mmHg
    Density 1.6 g/cm³
    Smiles COC(=O)C1=CC(=CC=C1Br)F
    Purity Typically ≥ 97%
    Solubility Slightly soluble in water, soluble in organic solvents
    Refractive Index 1.549
    Inchi InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3

    As an accredited Methyl 2-Bromo-5-Fluorobenzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

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    Application of Methyl 2-Bromo-5-Fluorobenzoate

    Applications of Methyl 2-Bromo-5-Fluorobenzoate in Industrial Manufacturing

    As a direct producer of Methyl 2-Bromo-5-Fluorobenzoate, we supply this specialty intermediate to industrial partners across advanced chemical synthesis sectors. Its unique halogen-substituted benzene structure supports key transformations for high-value crop protection, pharmaceutical, and material science applications, where strict formulation control, predictable reactivity, and regulatory alignment are essential. Below we outline several focused, well-established downstream application scenarios derived from customer manufacturing practice.

    1. Advanced Agrochemical Synthesis: Herbicide Intermediate

    Crop science sector formulators incorporate this compound as a core intermediate during the multistep synthesis of selective herbicides targeting dicot weeds. Its specific substitution pattern facilitates regioselective coupling in the construction of fluorinated active ingredients, ultimately improving control spectrum and persistence in the field. Formulators monitor raw material addition closely to limit side reactions and meet regulatory composition thresholds stipulated by export regions.

    Industry compliance standards

    • EPA 40 CFR Part 180 Tolerances for Pesticide Chemicals
    • FAO/WHO Specifications for Pesticide Products
    • REACH Regulation (EC) No. 1907/2006 (analytical purity and impurity profiling)
    • ISO 9001:2015 Quality Management for Synthesis and QC

    Typical usage ratio

    • 0.7–1.3 equivalents per target molecule in synthesis (adjusted per stoichiometric pathway and expected yield)

    Downstream process integration

    • Charged in the second or third step of multi-stage synthesis under controlled temperature and inert conditions, preceding cyclization or etherification

    Final product types

    • Fluorinated herbicide actives (e.g. for post-emergence broadleaf control)
    • Technical grade active ingredient concentrates
    • Formulated emulsifiable concentrates and wettable powder agrochemicals

    2. Pharmaceutical API Intermediate Manufacturing

    Specialty pharmaceutical manufacturers use our material as a building block within upstream routes for active molecules where precise halogen placement is necessary for bioactivity or metabolic profile. Medicinal chemistry workflows favor this intermediate for its consistent quality, selective reactivity, and traceable impurity profile, which supports meeting stringent impurity limits in regulated API production environments.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • European Pharmacopoeia (Ph. Eur.) and United States Pharmacopeia (USP) for relevant APIs
    • 21 CFR Part 211 (cGMP) for pharmaceutical processing
    • ISO 17025-accredited laboratory testing for assay, residual solvents, and related substances

    Typical usage ratio

    • 1.0 equivalent per coupling reaction, variable based on specific route and demand for purity in subsequent steps

    Downstream process integration

    • Added as the key intermediate during halogen exchange, amidation, or Suzuki coupling steps at kilo-lab and pilot plant scale

    Final product types

    • Fluorinated benzene-based API intermediates
    • Final active pharmaceutical ingredients conforming to pharmacopoeial monographs
    • Investigational drug substances (IND/DMF submissions)

    3. Electronic Chemicals: Liquid Crystal Monomer Synthesis

    Display and materials industries utilize this compound as a halogenated monomer in high-purity synthesis chains for advanced liquid crystal (LC) materials. The rigorous electronic chemical environment demands exceptional control over trace metallics, residual moisture, and particle contamination. As a result, this raw material undergoes additional purification and certification before entering this high-value segment.

    Industry compliance standards

    • SEMI C93 (Specifications for Electronic Chemicals)
    • RoHS Directive 2011/65/EU (substance restrictions for end use in electronics)
    • ISO 14001 for Environmental Management in electronics material supply
    • Customer-specific LCD-grade purity requirements (often <10 ppm metals, <20 ppm halide residuals)

    Typical usage ratio

    • 0.8–1.1 molar equivalents in step-growth polymerization or coupling, calibrated to achieve molecular weight targets and LC phase behavior

    Downstream process integration

    • Entered during oligomer assembly or late-stage monomer halogenation where structure–property relationships affect dielectric constants and birefringence

    Final product types

    • Mono-functional liquid crystal monomers
    • Nematic or smectic-phase liquid crystal material batches for LC displays (TFT-LCD, 3D displays)
    • High-purity specialty chemical reagents for precision film fabrication

    4. Fine Chemical Synthesis: Custom Fluorinated Aromatic Derivatives

    Contract manufacturers in the fine chemical segment use this specialty ester in custom synthesis protocols to access complex fluorinated aromatic motifs required for advanced dyes, pigments, and specialty organic compounds. Chemists select this intermediate for its defined substitution pattern, which offers control over regioselective functionalization steps. Batch records reference our CoA and impurity profile to support traceable, auditable production histories.

    Industry compliance standards

    • OECD Good Laboratory Practice (GLP) for method validation
    • ISO 9001:2015 for chemical production and traceability
    • Documentation standards for substance identification under global inventory programs (e.g. TSCA, IECSC)
    • Internal customer QC release specifications for specialty organic chemicals

    Typical usage ratio

    • 0.5–1.2 equivalents per batch, depending on downstream derivatization (ester cleavage, cross-coupling, or directed bromination reactions)

    Downstream process integration

    • Serves as a key building block in first- or second-stage reactions, often under palladium or copper catalysis for subsequent modifications

    Final product types

    • Specialty fluorinated dyes and pigments for inks or coatings
    • Custom aromatic intermediates for research and non-commercial libraries
    • Performance additives for polymer modification projects
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    More Introduction

    Methyl 2-Bromo-5-Fluorobenzoate: A Versatile Building Block for Modern Chemistry

    Looking Closer at Methyl 2-Bromo-5-Fluorobenzoate

    In the steadily advancing field of specialty chemicals and fine intermediates, Methyl 2-Bromo-5-Fluorobenzoate stands out because of its distinctive structure and wide-reaching applications. Chemists rely on small modifications to molecules to create new possibilities; this compound represents a fine example of how subtle adjustments—using both bromine and fluorine—can reshape what’s possible in a laboratory or production setting. The presence of these two functional groups in a methyl benzoate backbone makes for a compound whose reactivity and selectivity open a lot of doors in synthesis work.

    Molecular Structure and Key Details

    The core of this molecule centers on a benzoate ester, with a methyl group attached via oxygen. What sets Methyl 2-Bromo-5-Fluorobenzoate apart is the careful placement of a bromine atom at the 2-position and a fluorine atom at the 5-position on the benzene ring. Each of these atoms brings something different to the table. Bromine’s size and electron density can activate the ring for certain reactions, particularly cross-coupling, while fluorine offers both resistance to metabolic breakdown and changes the ring’s electronic properties. These traits are not merely theoretical – actual lab work and manufacturing processes build on these features all the time.

    Physical appearances usually feature a solid or crystalline powder, and the product melts at a temperature reflecting the strong intermolecular forces built into its structure. Purity matters here, because traces of unreacted precursors or side products can hamper efficiency during downstream transformations. Chemists value clarity in analysis, turning to HPLC and NMR to confirm they’re working with the genuine article.

    Practical Uses in Synthesis

    Anyone looking to build more complex aromatic systems often turns to Methyl 2-Bromo-5-Fluorobenzoate for its reliability as a halogenated benzoate. Medicinal chemists appreciate the dual-halogen pattern. Bromine makes the molecule amenable to Suzuki-Miyaura, Sonogashira, or Heck cross-coupling reactions. The fluorine atom’s high electronegativity helps tune the properties of the target molecule, and sometimes one modification is enough to turn a lackluster compound into something valuable.

    New drug candidates and advanced materials spring from work that often starts with compounds like this. Both academic research settings and industrial R&D departments turn to it, whether they are building up active pharmaceutical ingredients or exploring new flavors and fragrances by plugging the benzoate core into larger structures. Its role as an intermediate can’t be overstated: it lets chemists both preserve the stability of some parts of the molecule and introduce new complexity where it’s most needed.

    Comparing Alternatives: What Sets It Apart

    Plenty of benzoate derivatives crowd the market, each with their own mix of halogens or functional groups. Still, not every substitute brings the same set of tools to the bench. Methyl 2-Bromo-5-Fluorobenzoate’s configuration isn’t just about filling a catalog niche. Many times, swapping out the bromine for a chlorine alters the way the molecule behaves under standard coupling conditions; the bond strengths change, so reactivity drops or the reaction may stall out. Likewise, leaving off the fluorine at the 5-position can mean missing out on metabolic stability or the chance for a particular SAR (structure-activity relationship) in a new drug.

    In chemical development, efficiency isn’t measured in theory—it shows up in shorter routes, fewer side products, better atom economy, and the avoidance of purification headaches. Compounds with only one reactive halide site can fall short in certain syntheses. Chemists have shared stories about stepping up yields and achieving greater selectivity because they chose the right combination of bromo and fluoro groups on their benzoate starting point. Real-world lab notes back up these choices.

    Role in Pharmaceutical Innovation

    The heart of medicinal chemistry lies in the drive to outpace disease and deliver safer, more effective treatments. In my years traveling between academic collaborations and startup incubators, I’ve seen research programs hinge on clever use of small, specialized intermediates just like Methyl 2-Bromo-5-Fluorobenzoate. Its precise substitution pattern supports rapid analog synthesis, laying a foundation for exploring how tiny tweaks—like shifting a fluorine or swapping a bromine for an iodine—can make or break a project.

    Drug discovery doesn’t only depend on clever design. Supply chain predictability and robust synthetic methods matter just as much. Reliable access to key intermediates in high purity prevents research setbacks and costly delays. By building libraries of candidate molecules on a backbone like this, teams can move from idea to in vitro testing at a pace that beats out less flexible alternatives.

    Nothing frustrates a medicinal chemist more than running into a roadblock in the form of low-yielding or unpredictable chemical steps. Compared with other benzoates, products with two functional handles—bromine and fluorine—allow for orthogonal functionalization. One step modifies the bromine site, another targets the ester, and the fluorinated ring remains unchanged under many conditions; the kind of control this offers can’t be replicated by single-halogen compounds.

    Foundations in Agrochemical and Material Science

    While pharmaceuticals may hog the limelight, innovation in agrochemicals and material science often depends on the same type of chemical flexibility. Building block molecules provide the starting points for pesticides that break down more slowly, herbicides tuned to specific uses, or dyes capable of long-term stability. Introducing both a bromine and a fluorine into the benzoate structure brings options: new binding modes, altered distribution in the environment, or chains of modifications that ultimately enable a fresh generation of crop protection or advanced polymers.

    Fluorinated intermediates are ubiquitous in specialty coatings and high-performance materials. My own experience with research teams in polymer chemistry repeatedly underscored the demand for well-characterized intermediates—the kind typified by Methyl 2-Bromo-5-Fluorobenzoate—which facilitate the introduction of specific groups later in the synthesis. The ability to install either additional aromatic substituents, or extend the ester into larger polymer side-chains, can streamline R&D timelines and create new commercial opportunities.

    Impact on Laboratory Efficiency and Workflow

    Chemical research relies on workflow. Lab teams work best when they know their reagents deliver on purity and performance batch after batch. Methyl 2-Bromo-5-Fluorobenzoate plays a quiet but crucial role here. Chemists have shared that switching to high-purity, single-stage intermediates like this one allows for smoother scaling and fewer bottlenecks. Synthesis timetables tighten, and troubleshooting time drops. At scale, even incremental improvements in reaction throughput—gains made possible by the optimal chemical handles built into this molecule—translate into saved resources, money, and goodwill across the research group.

    Chemists working with less specialized benzoates often report more frequent need for protective groups, extra purification steps, or lengthy optimization. Those complications result in waste, frustration, and delayed project milestones. The dual-functionality of this compound brings freedom to modify the molecule in two directions, creating a useful crossroads from which new syntheses branch out.

    Environmental Considerations and Regulatory Context

    The conversation around halogenated organics doesn’t stop with utility; it includes responsibility. The synthetic community has long debated the benefits and drawbacks of working with brominated and fluorinated compounds. Advances in green chemistry mean that manufacturers now look for ways to limit environmental impact throughout the lifecycle of intermediates like Methyl 2-Bromo-5-Fluorobenzoate. Cleaner production routes, reduced solvent use, and full transparency regarding byproducts matter not just for compliance, but for long-term sustainability.

    Unlike some heavily regulated or persistent organic pollutants, this compound offers a reasonable profile for responsible use, especially in a laboratory or controlled pilot plant. Disposal protocols and handling requirements target proper containment and minimal emission, which fits well with the habits of any experienced synthetic chemist. Reinforcing best practices—like glove use, fume hood handling, and secure storage—protects both workers and the surrounding environment. In my time working with safety officers, I’ve learned that most incidents result not from the reagents themselves, but from lapses in attention or deviations from routine procedures.

    Supporting Research and Development Growth

    Research budgets waste no time on uncertainty. Any chemical intermediate destined for multiple scales—gram-level testing, kilo-lot synthesis, pilot production—must demonstrate stability, consistent purity, and clear documentation. Technical data and application notes distributed in the research community vouch for the reliability of Methyl 2-Bromo-5-Fluorobenzoate across these contexts. Published syntheses almost always mention the ease with which it integrates into existing protocols, or the way in which its two functional groups allow for route innovation.

    One of the most telling signs of a product’s value lies in how often it reappears across published research. Fluorinated benzoates aren’t new, but this particular arrangement brings special interest, featured in patent filings directed at new pharmaceuticals and high-performance materials. Recent years have seen a surge in applications for fluorine-containing intermediates and a parallel interest in cross-coupling technology; having both a bromo and a fluoro group on an accessible, easy-to-handle benzoate gives teams a leg up over more traditional building blocks.

    Quality: No Substitute for Consistency

    High-stakes projects—those with regulatory filings on the line, or with clinical trial timelines looming—depend on reagents that come through every time. My own experience, and that of countless colleagues, points to the simple fact: reliable supply chains and vendor support matter as much as clever synthetic routes. Whether teams order by the gram or the kilogram, they report the satisfaction of opening a fresh batch with verified purity and stable physical properties.

    It’s easy to miss the crucial role played by intermediates like Methyl 2-Bromo-5-Fluorobenzoate; they fade into the background as end products take the spotlight. Yet, breakthrough molecules—be they drugs, agrochemicals, or engineered materials—spring from a chain of such starting points. The best suppliers stand by full analytical profiles, batch records, and transparent support when new issues arise. In an industry where unforeseen delays or failures mean lost opportunity, this kind of stability is invaluable.

    Solutions and Future Outlook

    Modern chemistry rarely stands still. New reaction methodologies, green synthesis initiatives, and discovery platforms all place greater demands on intermediates. The smart use of dual-functional compounds like Methyl 2-Bromo-5-Fluorobenzoate fits well in this landscape. Incorporating it into synthesis planning can reduce steps, boost yields, and allow late-stage diversification essential for structure-activity explorations. This means better resource use—fewer reagents, simplified process development, and less chemical waste generated.

    Teams looking to address resource constraints or ethical concerns about halogenated chemicals should look upstream at supplier certifications and downstream at process improvements to capture, recycle, or neutralize waste. Some working groups have piloted solvent swaps, microreactor technology, and continuous-flow setups to boost both safety and efficiency when working with these compounds. The flexibility of this intermediate supports such process innovation, as it tends to behave reliably across a range of setups and conditions.

    For organizations investing in new product pipelines, the choice of intermediates sets the pace for everything that follows. Those adopting Methyl 2-Bromo-5-Fluorobenzoate as a starting point find they can run parallel syntheses, test multiple pathways, and pivot quickly if new data calls for a change in direction. The agility built into this approach matches the demands of today’s fast-moving markets—where intellectual property races and patent filings are won by those who move fastest and most accurately.

    Ethical Practice and Supply Transparency

    Recent scrutiny on supply chain practices has underscored the significance of documented provenance and transparent sourcing. Research laboratories and production teams value clear traceability in every shipment: knowing not just the certificate of analysis, but also where and how the chemical originated. Trust in Methyl 2-Bromo-5-Fluorobenzoate has grown in part because high-quality suppliers cater to these needs, maintaining compliance with evolving environmental, health, and safety standards.

    Chemists with experience on procurement teams understand the risks of dealing with questionable vendors. Friends and colleagues have learned the hard way: lost time, delayed projects, and even dangerous laboratory conditions when sufficient documentation or consistency wasn’t available. By choosing reputable sources, research groups shield themselves from these setbacks, helping maintain positive relationships with both regulatory agencies and internal oversight.

    Pushing Forward: Education and Knowledge Sharing

    No matter how sophisticated a research pipeline becomes, success depends on knowhow and communication shared across teams. Knowledge networks—like laboratory discussion forums, supplier Q&A sessions, and collaborative white papers—play a crucial role in spreading best practices around the use of compounds like Methyl 2-Bromo-5-Fluorobenzoate. Sharing reaction quirks, tips for storage, or warnings about incompatibilities saves others from repeating avoidable mistakes.

    Trainees and new chemists benefit most, gaining an intuitive sense of what a solid intermediate brings to a project. Even small tweaks—such as changing workup protocol to accommodate the ester or building in analytical checkpoints early in a sequence—protect investment and speed up troubleshooting. These routines, handed down through successive research cycles, shape the progress of entire organizations.

    Conclusion

    Methyl 2-Bromo-5-Fluorobenzoate isn’t just one more entry in a catalogue. It has built its reputation on years of steady use, trusted reactivity, and well-documented properties. Every successful synthesis reveals yet another reason for its growing popularity both in established and emerging areas of applied science. The dual reactivity, metabolic stability, and ease of further functionalization position it as a go-to for teams pushing the frontier of molecular innovation. For those who demand reliability, versatility, and a proven track record, it remains one of the more valuable choices for moving ideas from drawing board to successful realization. Consistent sourcing, attention to environmental practices, and clear information sharing secure its place in serious research and manufacturing settings for years to come.