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3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile

    • Product Name 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile
    • Alias 3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonitrile
    • Einecs 413-030-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry sales7@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    315363

    Chemical Name 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile
    Molecular Formula C11H6ClFN2O
    Molecular Weight 236.63 g/mol
    Cas Number 873884-54-9
    Appearance White to off-white solid
    Solubility Soluble in organic solvents such as DMSO and DMF
    Purity Typically >98%
    Storage Conditions Store in a cool, dry place, away from light
    Synonyms None widely known
    Smiles CC1=CC(=NO1)C#N C2=CC=CC(=C2Cl)F
    Iupac Name 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

    As an accredited 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 100g of 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile, sealed in an amber glass bottle with tamper-evident cap.
    Shipping The chemical **3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile** is shipped in tightly sealed containers, protected from moisture and light. It should be transported at ambient temperature, following all relevant regulations for hazardous materials. Appropriate labeling, documentation, and safety data sheets are included to ensure safe and compliant handling during transit.
    Storage Store **3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile** in a tightly sealed container, away from moisture, heat, and direct sunlight. Keep in a cool, dry, and well-ventilated area, preferably in a chemical storage cabinet. Isolate from incompatible substances, such as strong oxidizers. Ensure proper labeling and use appropriate personal protective equipment when handling. Follow all standard chemical storage regulations.
    Application of 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile

    Applications of 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile in Industrial Manufacturing

    3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile is a specialty intermediate serving key roles in advanced chemical synthesis, particularly within agrochemical, pharmaceutical, and specialty chemical industries. As the original manufacturer, we supply this material for integration into controlled production flows, adhering strictly to sector-specific requirements and downstream expectations. The following application scenarios provide detailed breakdowns of compliance, composition, process steps, and resulting products in genuine industrial sectors.

    1. Synthesis of Selective Herbicide Active Ingredients

    We supply this isoxazole compound as a strategic intermediate in the production of modern herbicides, particularly those targeting grass and broadleaf weeds in post-emergent applications. The compound’s unique halogen-substituted structure allows for direct incorporation into proprietary structural motifs required for high selectivity and environmental compatibility. Downstream formulators rely on precise nucleophilic substitution and cyclization chemistries, integrating this intermediate into complex, multi-step production of active ingredients for use in regulated agricultural markets.

    Industry compliance standards

    • OECD Guidelines for the Testing of Chemicals
    • ISO 9001:2015 for quality management
    • REACH registration (EC No. 1907/2006)
    • FAO/WHO Codex Alimentarius for pesticide residues

    Typical usage ratio

    • 15%–30% molar ratio in stepwise synthesis, adjusted per target molecule structure
    • Excess may be required to drive condensation or coupling in closed-reactor processing

    Downstream process integration

    • Added after initial amine or hydrazine starting materials during intermediate step
    • Incorporation occurs prior to final ring closure and chlorination steps
    • Typical use in batch reactors under inert gas

    Final product types

    • Pretilachlor and similar chloroacetanilide herbicides
    • New generation phenylisoxazole-based weed control agents
    • Formulated post-emergent herbicide suspensions and emulsions

    2. Intermediate for Targeted Pharmaceutical Candidate Synthesis

    Pharmaceutical process teams utilize this compound as a core intermediate in the assembly of isoxazole-based drug candidates, especially in oncology and neurological therapeutic areas. Its chloro-fluoro-phenyl core enables regioselective transformations crucial to introducing drug-specific functional groups. Downstream, chemists control input ratios and reaction temperatures tightly, customizing the pathway in accordance with current Good Manufacturing Practice (cGMP) for active pharmaceutical ingredient (API) production.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice (GMP) for APIs
    • USP/NF Monographs for process intermediates
    • Ph. Eur. regulations (European Pharmacopoeia)
    • FDA 21 CFR Part 211 cGMP for finished pharmaceuticals

    Typical usage ratio

    • 10%–22% molar input, adjusted based on route optimization and by-product control
    • Reagent excess limited by downstream purification yields

    Downstream process integration

    • Feedstock to selective Suzuki coupling for aromatic diversification
    • Introduced after formation of isoxazole ring skeleton
    • Included in final step of side-chain functionalization under GMP supervision

    Final product types

    • Experimental oncology agents with isoxazole frameworks
    • CNS-active isoxazole derivatives in preclinical drug pipelines
    • Finished APIs pending regulatory approval in the EU/US

    3. Building Block for Advanced Agrochemical Synthesis

    This isoxazole derivative plays a vital role in producing specialty fungicides and insecticides, where the substituted aryl group drives target site binding. Its use in crop protection acts as a coupling partner or starting point for diversified analogues, applied in controlled formulation environments. Our production-grade material meets strict quality controls to minimize residual solvents and heavy metals, supporting downstream compliance with agricultural chemical regulations.

    Industry compliance standards

    • Global GAP for traceability in the agricultural supply chain
    • China MA (Ministry of Agriculture) registration for pesticides
    • Japan Agricultural Chemicals Regulation Law
    • ISO/IEC 17025 laboratory quality standard

    Typical usage ratio

    • 12%–28% by mol in lead molecule assembly, formulation-specific
    • Adjusted for single or multi-site modification based on end-use

    Downstream process integration

    • Initiates reaction with halogenated nucleophiles during key coupling
    • Fed into continuous flow or batch process depending on scale
    • Tested for purity prior to technical grade isolation

    Final product types

    • Crop-specific fungicide actives with isoxazole scaffolds
    • Custom insecticide intermediates for protected agriculture
    • Formulated technical concentrates for spray applications

    4. Fine Chemical and Specialty Material Synthesis

    Producers of high-value specialty chemicals and functional materials utilize this isoxazole-carbonitrile as a sourcing intermediate for constructing custom polymer precursors, advanced dyes, and small-molecule research tools. Its electron-deficient aromatic core supports halogen exchange or cycloaddition chemistry, providing access to unique materials essential for specialty manufacturing. Our clients in this segment require documentation for lot-to-lot consistency and contaminants, supporting advanced R&D and pilot scale production.

    Industry compliance standards

    • ISO 14001 Environmental Management for chemical processing
    • SAE AMS 2750 for process temperature control (applicable in polymer intermediate prep)
    • EU Regulation (EC) No 1272/2008 on classification, labelling, and packaging
    • Responsible Care® Global Charter for safe manufacturing

    Typical usage ratio

    • 5%–18% input by mol depending on target chain incorporation or modification step
    • Ratios determined by stoichiometry and required functional density in end material

    Downstream process integration

    • Integrated in core build-stage of specialty monomer manufacture
    • Applied as key functional unit in dye and pigment syntheses
    • Blended at early or late stage based on reactivity profile

    Final product types

    • Functionalized specialty polymers for electronics and coatings
    • High-performance dyes with halogenated isoxazole motifs
    • Advanced chemical intermediates for further synthesis
    Free Quote

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    Certification & Compliance
    More Introduction

    3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile: Built On Real Lab Expertise

    Product Introduction: From Synthesis to Solution

    Years in organic synthesis bring plenty of hard lessons. Making intermediates like 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile takes more than just good intentions and a few fancy reactors. We learned early that quality control does not begin or end in purification. It starts with reliable raw materials sourcing, careful batch planning, strict temperature and moisture controls, and hands-on process refinement that carries into every kilogram of finished product.

    The chemical itself serves as a valued building block for advanced pharmaceuticals and crop protection molecules. It lives at a crossroads—not only because of its isoxazole core, but for features like the chloro and fluoro substitutions that can be tricky to attach cleanly without fouling up the isoxazole ring. Inconsistent batches create downstream headaches, whether you’re in drug discovery or agricultural formulation. 

    What Sets Our 3-(2-Chloro-6-Fluorophenyl)-5-Methylisoxazole-4-Carbonitrile Apart?

    Labs everywhere seek reliable, high-purity isoxazole carbonitriles, but off-the-shelf options often disappoint. Residual moisture, incomplete reactions, or traces of related compounds won’t always show up in a rushed Certificate of Analysis, yet even tiny impurities throw off tight synthesis steps later. We have spent over a decade adjusting crystallization solvent systems, drying cycles, and analytical controls to curtail these blind spots. Each batch runs through thorough HPLC, GC, and NMR checks. Anything less than clear, consistent peaks and our standards will see the lot rejected. 

    Many commercial producers claim high assay, but few routinely confirm the absence of hard-to-detect trace byproducts. Our manufacturing team not only screens for assay, we watch for anomalies in the isoxazole region and trace halogenated side products that can accumulate in competitive routes. These details matter for anyone scaling to multi-kilogram outputs where losses compound. High repeatability reduces both financial risk and precious time lost on reworks.

    During early development, we ran dozens of iterations using chlorinated and fluorinated precursor sources. Some methods left more chlorinated byproducts; other methods hit fluorine integration challenges. Our current approach gives a strong balance, with regular yields above 95 percent and minimized formation of process impurities.

    It’s tempting to believe that isoxazole intermediates come in “standard grades,” but front-line chemists know the story is never that simple. Slight changes in paramagnetic impurities, residual solvents, or even color can flag underlying process lapses. Genuine batch data, not recycled third-party claims, informs every barrel we ship.

    Hands-On Production: Staying Close to Each Batch

    Knowing how water in solvents can ruin both crystallizations and future coupling steps, we operate glass-lined and stainless reactors under low-moisture conditions, with headspace purging to shut out ambient air. Our drying protocols run at fixed tolerances, with Karl Fischer titrations confirming dryness before any product leaves drums for final packaging. Temperature control takes precedence at every step, especially at the carbonitrile formation stage, which relies on careful addition rates and jacketed cooling.

    We do not subcontract core steps; our operators maintain direct control over each batch, ensuring traceability and process logs down to individual reagents. Should profiles drift or colors deepen, we stop and diagnose long before the material reaches downstream customers, avoiding disruption to critical research or pilot plant schedules.

    Regulatory scrutiny on process cleanliness and trace handling of halogenated reagents shapes every SOP we write. We conduct our own impurity and residual solvent studies using validated methods, and hold reference spectra for every significant batch. Our process engineers meet regularly with the analytical and safety teams, minimizing cross-contamination and environmental emissions through controlled process venting and closed transfer lines.

    Routine production never breeds complacency. Variations in raw material lots—sometimes even from well-known chemical suppliers—have forced rapid response cycles in our plant. To stay ahead, we evaluate each change with quick micro-batches and cross-check with mainline unit operations before authorizing full-scale runs. In practice, this means avoiding unpleasant surprises, whether a test tube or a 200-kilogram order is at stake.

    Purity Control: More Than a Number

    Chemical buyers may ask for “98 percent min” purity, but we find this number by itself masks the real challenges. With halogenated isoxazole intermediates, even small amounts of unwanted regioisomers, ring-opened fragments, or “sticky” residual processing aids cause cascading trouble. Customers who use this carbonitrile for heterocycle assembly, Suzuki couplings, or late-stage fluorinations report that our material saves time on final purifications.

    HPLC analysis forms our baseline check, but we train our staff to read between the peaks. Routine NMR scans—especially focusing on aromatic and isoxazole protons—pick up subtle differences a rushed glance might miss. Each processed lot gets a full COA, but more importantly, a matching real-data origin file so that users see batch lineage with complete transparency.

    Moisture—again, a frequent cause of hydrolysis or unwanted side reactions—remains a focus. Before shipment, we confirm Karl Fischer values in-house. Even high assay material with a percent or two of water can sabotage key cyclizations or coupling steps. Consistency from drum to drum matters when pharmaceutical or agrochemical scale-up deadlines approach.

    Off-odors or nonwhite coloration warn us to dig deeper, often signaling incomplete removal of organic bases or halide traces. While clean product needs little intervention, we keep sample archives from every batch, giving users confidence for future reference.

    Safe Handling and Environmental Responsibility

    This isoxazole carbonitrile poses the typical challenges of an active aromatic halide—irritation risk, plus proper containment during powder handling. Our manufacturing floor treats dust control and spill management as core training topics, not box-ticking exercises. Heavy process exhaust moves through multi-stage scrubbers and carbon beds. Waste streams are neutralized or routed for incineration at certified plants.

    Our plant teams work under closed transfer protocols, reducing airborne release risk during charging, sampling, and drumming. Each operator wears personal monitoring equipment, tracking short-term exposure against limits derived from both local guidelines and our own internal thresholds. Plant design grew out of direct experience with halogenated intermediates, so we place scrubbers, airlocks, and containment bunds where they do the most good, not where it looks tidy on paper.

    Strict attention to spills, transport, and off-site storage follows international best practices. Before loading, our logistics teams double-check UN classifications and route compatibility—never settling for least-cost carriers but using partners proven to handle technical cargo safely.

    Since our facility runs parallel campaigns with multiple halogenated intermediates, periodic environmental audits verify zero cross-batch contamination, both in products and effluent. Waste minimization programs focus on solvent recycling, batch right-sizing, and energy management—always seeking to reduce our environmental impact while delivering a safer finished product.

    Supporting End Users: From R&D to Production Scale

    Many academic labs depend on smooth input quality for their medicinal chemistry projects. Synthetic chemists expect intermediates like this carbonitrile to deliver precise reactivity, especially under catalytic coupling, nucleophilic substitution, and cyclization conditions. Stubborn byproducts can register only as a minor bump under HPLC, but most R&D chemists notice the difference in reaction times, yields, and purification costs.

    Process chemists scaling to pilot or commercial capacity want the same tight specifications they perfected in the lab. Our volumes span from trial kits up to multi-ton runs, with change management that tracks any deviance from the development batch. This traceability saves budget and troubleshooting effort for production teams, especially where regulatory filings require electronic footprints across batches.

    Feedback from contract research and commercial partners shape our continuous improvement cycle. Insights from failed couplings, color changes, or inconsistent yields prompted us to tweak both the upstream fluorination and downstream work-up. We don’t wait for end users to flag issues; our QC and process development teams run proactive scenario drills, replacing aged equipment and upgrading analytical tools where real problems are uncovered by routine review.

    Some customers must deal with global shipping constraints. We keep buffer stock and flexible fill lines ready for both drum and intermediate packaging, arranging export paperwork based on local destination requirements. Our staff remain available to support technical troubleshooting across time zones—backed by chemists who have run these same reactions at bench scale.

    Comparing With Other Isoxazole Carbonitriles

    Experience has shown us that subtle variations in manufacturing process lead to significant differences in the impurity profile and reactivity of halogenated isoxazole carbonitriles. Many competitors favor quick throughput, resulting in slightly higher process impurities or trace solvent contamination. We remain cautious about chasing minor cost savings when tight reaction control can save days, not just cents, on downstream chemistry.

    Where some manufacturers rely heavily on bulk automation, we combine precision process logic with experienced operator oversight. This allows us to catch drift early—adjusting temperature, solvent ratios, or filtration pressure without waiting for a full run to finish—and consistently deliver product tailored to modern synthetic demands.

    End users routinely point out that our material produces clean NMR spectra, with minimal broadening and no visible aromatic contaminants, even after extended storage. Stabilizers are avoided unless absolutely necessary, removing hidden variables that tend to complicate scale-up or analytical reproducibility.

    Material developed by our process engineers frequently enters high-value target molecules in both pharmaceutical and agrochemical synthesis. While there are alternatives with similar theoretical frameworks, detailed side-by-side studies show that our improved synthesis routes give an advantage in trace purity and batch repeatability, particularly when moving from research to production volumes.

    Process consistency transforms how efficiently users achieve their next synthetic milestone. Our approach—equal parts careful chemistry and chemical plant craftsmanship—delivers a level of reliability and transparency that supports both seasoned production experts and junior researchers starting out.

    Engaging Directly With Chemists and Process Engineers

    Rather than relying solely on sales reps, we maintain an open line between our lab teams and end users. This helps ensure any unique requirements are addressed early, not after missteps delay a project. Whether a customer needs custom blend formats, an adapted drying regime, or extra analytical validation, we deliver practical results.

    Our synthetic chemists keep technical documentation up to date, including method details for common coupling and cyclization reactions. Not every reaction system tolerates standard input; understanding subtle real-world differences makes or breaks time-to-results in critical manufacturing programs. We prioritize honest feedback and fixable solutions over hand-waving.

    First-hand knowledge of how each batch performs in practical use allows us to offer more than just a lot number. Site visits, technical seminars, and ongoing feedback streams are all part of how we stay ahead of both customer needs and market shifts.

    Real-World Results: A Track Record in Pharmaceutical and Agrochemical Synthesis

    Looking back over years of supply contracts, our product finds use in structurally complex pharmaceutical lead compounds and in select crop protection actives that require tough but reliable halogenation patterns. We have supported hundreds of successful library expansions where this intermediate plays a central role in late-stage functionalization.

    Production chemists facing sudden scale surges, regulatory audits, or technical bottlenecks repeatedly come back to our isoxazole carbonitrile because it works the same, batch after batch. Purity and moisture consistency have spelled the difference between a smooth campaign or costly delays across many multi-ton projects.

    Our repeat customers frequently mention how batch-to-batch consistency translates directly into time saved, fewer surprises in analytical data, and less process troubleshooting. These outcomes are the result of a hands-on, detail-driven approach in all upstream and downstream operations.

    We continually refine both product offerings and support strategies in response to competitive pressures and new user applications. The foundation remains the same: chemical production that grows out of experience—not just with paperwork and protocols, but at the process bench, the pilot reactor, and the shipping dock.

    Continuous Improvement In Chemical Manufacturing

    Every process step, from raw material approval to final packaging, gets reevaluated as technology and analytical methods advance. Where older routes leaned on heavier solvent use or more hazardous reagents, we push toward greener chemistry and tightened process controls, cutting raw material waste and improving plant safety.

    Customer feedback helps set priorities. Requests for new packaging sizes, additional intermediate testing, and on-site troubleshooting sharpen our end-to-end service. Our chemists document each successful scale-up as a foundation for even more rigorous standards next cycle.

    Automated monitoring, modern plant design, and skilled operators allow us to meet rising technical demands across international markets. As quality and safety data requirements become more complex, we invest in digital process tracking and secure supply chains, giving partners greater confidence that each container meets both legal and scientific requirements.

    Looking Ahead: Partnering For Reliable Synthesis

    Having supplied this key isoxazole intermediate for over a decade, we know the frustrations, opportunities, and real-world constraints synthetic chemists face. Our processes combine technical rigor with hands-on experience, reinforced by a culture built on data, transparency, and customer partnership.

    Anyone looking to streamline a synthetic route, troubleshoot a complex process reaction, or simply avoid the batch-to-batch inconsistency that often plagues halogenated isoxazole intermediates will find a committed partner here. We understand the demands of both bench and plant chemistry, because we’ve lived them—and built a better product for those who still do.