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4-(Trifluoromethoxy)Benzoyl Acetonitrile

    • Product Name 4-(Trifluoromethoxy)Benzoyl Acetonitrile
    • Alias TFMBO-ACN
    • Einecs 273-254-9
    • 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

    131687

    Chemicalname 4-(Trifluoromethoxy)Benzoyl Acetonitrile
    Molecularformula C10H6F3NO2
    Molecularweight 229.16 g/mol
    Casnumber 886762-21-8
    Appearance White to off-white solid
    Meltingpoint 56-58°C
    Density 1.39 g/cm3 (estimated)
    Solubility Soluble in organic solvents such as DMSO, DMF
    Purity Typically >97%
    Smiles C(C#N)C(=O)C1=CC=C(C=C1)OC(F)(F)F
    Inchi InChI=1S/C10H6F3NO2/c11-10(12,13)17-8-4-2-7(3-5-8)9(15)6-1-14/h2-5H,6H2
    Storageconditions Store at 2-8°C, protected from light and moisture

    As an accredited 4-(Trifluoromethoxy)Benzoyl Acetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The 25g quantity of 4-(Trifluoromethoxy)Benzoyl Acetonitrile is supplied in a sealed amber glass bottle with tamper-evident cap.
    Shipping 4-(Trifluoromethoxy)benzoyl acetonitrile is shipped in tightly sealed, chemical-resistant containers to prevent leaks and contamination. It is packaged according to international regulations for hazardous materials, typically in cool, dry conditions. The package includes appropriate labeling, documentation, and handling instructions to ensure safe transport and regulatory compliance.
    Storage 4-(Trifluoromethoxy)benzoyl acetonitrile should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area away from heat, sparks, and open flames. Protect from direct sunlight, moisture, and incompatible substances such as strong oxidizers. Ensure proper labeling and keep away from food or drink. Use appropriate personal protective equipment when handling and ensure good laboratory hygiene.
    Application of 4-(Trifluoromethoxy)Benzoyl Acetonitrile

    Applications of 4-(Trifluoromethoxy)Benzoyl Acetonitrile in Industrial Manufacturing

    As a specialist chemical manufacturer, we carefully monitor the real-world use of 4-(Trifluoromethoxy)Benzoyl Acetonitrile, supplying it to core industrial sectors where its niche molecular profile directly impacts end-product quality. The following sections provide an in-depth look at established application scenarios, outlining the regulatory context, industrial formulation guidance, integration into production, and finished product outcomes for each segment.

    1. Pharmaceutical Intermediate for Fluorinated Active Pharmaceutical Ingredients (APIs)

    This compound plays a strategic role as a key intermediate in the synthesis of fluorinated pharmaceutical molecules, especially for APIs with enhanced metabolic stability. It enters medicinal chemistry sequences that demand high selectivity and purity, and is widely utilized in multistep organic synthesis by API manufacturers targeting small-molecule drugs.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • US FDA 21 CFR Part 211 (Pharmaceutical cGMPs)
    • EU GMP EudraLex Volume 4
    • Relevant regional pharmacopeias (USP, EP, JP)

    Typical usage ratio

    • 0.05–0.30 molar equivalents relative to target API core structure; exact dosing depends on the step’s yield and side-product profile, typically optimized per process validation batch.

    Downstream process integration

    • Charged during the advanced stage of API synthetic route, usually in nucleophilic aromatic substitution or condensation steps, often under controlled temperature and inert atmosphere, followed by rigorous purification.

    Final product types

    • Fluorinated anticancer drug APIs
    • Central nervous system pharmaceutical intermediates
    • Custom contract development pharmaceutical compounds
    • Registered synthetic building blocks for CRO/CDMO services

    2. Agrochemical Intermediate for Crop Protection Synthesis

    Producers of advanced crop protection agents utilize this raw material in the targeted synthesis of fluorine-containing pesticide actives. Its molecular framework supports the assembly of complex herbicidal and fungicidal entities, addressing efficacy and regulatory residue requirements for high-value crops.

    Industry compliance standards

    • FAO/WHO Specification for Pesticide Active Ingredients
    • ISO 17334:2014 (Pesticide technical materials and formulations)
    • REACH Regulation (EC) No 1907/2006 (for European production)
    • National Institute for Food and Drug Control standards (for Chinese manufacturers)

    Typical usage ratio

    • 1.5–5.0% by weight of total batch input during active ingredient synthesis; proportion adjusted to molecular weight target and process stage, as determined by route optimization.

    Downstream process integration

    • Introduced at ring closure or acylation steps during the formation of the pesticide active nucleus. Reaction monitoring includes HPLC or GC-MS for intermediate conversion tracking.

    Final product types

    • Selective herbicide actives for cereals and vegetables
    • Broad-spectrum fungicides for horticultural crops
    • Pesticidal formulation concentrates (TCs and SCs)
    • Export-grade technical grade agrochemical intermediates

    3. Electronic Chemicals for Specialty Material Synthesis

    This compound serves as a specialty building block in the manufacture of advanced organic electronic components, especially for small molecule organic semiconductors and functionalized polymer materials used in display technologies and sensors. Its high electron-withdrawing substituents enable precise electronic property tuning.

    Industry compliance standards

    • SEMI C3-0819 (Specifications for High Purity Chemicals Used in Semiconductor Processing)
    • IEC 62474 (Material declaration in electrical and electronic products)
    • RoHS Directive 2011/65/EU for restricted substances
    • Customer-specific material control plans for clean-room supply chain

    Typical usage ratio

    • 0.1–2.0% by weight in formulation with other organic monomers; ratio determined by required dielectric and photophysical properties of the finished material.

    Downstream process integration

    • Applied in controlled synthesis reactors for Suzuki or Heck coupling reactions during the preparation of specialty organofluorine compounds, followed by purification steps critical for electronic grade purity.

    Final product types

    • OLED emitter molecules
    • Organic photodetector intermediates
    • Dielectric organic polymer precursors
    • Sensor chip specialty chemicals

    4. Fine Chemicals for Liquid Crystal Material Manufacturing

    Industrial producers of liquid crystal display (LCD) materials use this substance within custom syntheses for advanced mesogenic molecules, ensuring refined molecular orientation and phase transition behavior. Its structure assists in tuning electro-optical response for next-generation screens.

    Industry compliance standards

    • ISO 9001:2015 (Quality management for chemical manufacturing)
    • IEC 61249-2-41 (Materials for printed boards and electronics)
    • JIS C5016:2014 (Testing methods for liquid crystals)
    • OEM customer specification for LCD performance validation

    Typical usage ratio

    • 0.3–1.2% molar input based on total mesogen precursor feed; adjusted according to desired nematic range and viscosity profile.

    Downstream process integration

    • Added at early stage synthesis of liquid crystal mixtures, typically via alkylation or acylation under controlled atmosphere, then refined by fractional distillation and crystallization.

    Final product types

    • TN, STN, and TFT LCD fluid blends
    • Specialty display mesogen monomers
    • High-purity LCD additives for performance tuning
    • OEM supplied liquid crystal mixtures for device integration

    5. Building Block for Specialty Dye Manufacturing

    Producers of high-performance dyes for textiles and functional coatings employ this compound in the synthesis of fluorinated organic colorants, targeting improved durability and chemical stability. Its incorporation allows for unique chromophore design in demanding end-use scenarios.

    Industry compliance standards

    • OEKO-TEX Standard 100 for dye safety assessment
    • ISO 9001:2015 (Dye manufacturing process control)
    • ZDHC MRSL (Zero Discharge of Hazardous Chemicals Manufacturing Restricted Substances List)
    • REACH compliance for azo dye components (Regulation (EC) No 1907/2006)

    Typical usage ratio

    • 0.4–2.5% weight ratio in chromophore synthesis batches; finalized according to color fastness and target shade depth.

    Downstream process integration

    • Introduced during azo coupling or Friedel–Crafts acylation reactions that create the fluorinated dye backbone, often requiring strict temperature and pH management for optimal yields.

    Final product types

    • Textile disperse and acid dyes
    • High-performance inkjet printing dyes
    • UV-resistant pigment components for industrial coatings
    • Functional dye raw materials for specialty fiber blends

    6. Intermediate for Advanced Polymer Synthesis

    Manufacturers of high-performance specialty polymers use this molecule as a precursor to introduce trifluoromethoxy substituents, enhancing chemical resistance and thermal properties for final engineering plastics and elastomers used in automotive and electronics sectors.

    Industry compliance standards

    • ISO 14001 (Environmental management for chemical processes)
    • UL 94 (Flammability standards for polymeric materials)
    • RoHS Directive for restricted substance content
    • ASTM D638 (Standard Test Method for Tensile Properties of Plastics)

    Typical usage ratio

    • 0.8–3.0% molar ratio based on target polymer chain length; optimized during pilot scale trials to balance mechanical and thermal characteristics.

    Downstream process integration

    • Charged into polycondensation or radical addition reactions under controlled heat and inert atmosphere, then processed through melt extrusion and pelleting for downstream compounding.

    Final product types

    • High-temperature engineering polymers
    • Fluorinated elastomer compounds
    • Functional polymer blends for wire & cable insulation
    • Chemical-resistant thermoplastic masterbatches
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    Certification & Compliance
    More Introduction

    4-(Trifluoromethoxy)Benzoyl Acetonitrile: A Closer Look from the Manufacturer’s Perspective

    Direct from the Source: Why This Ingredient Draws Attention

    Every synthesis lab aims for reliability, especially when branching into advanced intermediates for pharmaceuticals, agrochemicals, and specialty compounds. As a chemical manufacturer with long-standing roots in producing halogenated and trifluoromethyl-containing intermediates, we have found 4-(Trifluoromethoxy)Benzoyl Acetonitrile to be one of the more versatile and robust options on the bench. The shift toward increasingly complex molecules in global R&D pushes for unique electron-withdrawing groups. This compound, with the trifluoromethoxy group sitting on an aromatic ring, carves out a unique performance space unattainable using its simpler competitors.

    Model and Core Specifications: Manufacturer’s Consistency

    Our batches are guided by stringent protocols, focusing on chemical integrity at every scale. By maintaining the main substance in the C9H6F3NO2 family, we hold the molar mass to precise analytical standards. Material comes as an off-white or pale yellow crystalline solid, ensuring not just visual consistency but also optimal handling on production lines. Trace impurities, moisture, and decomposition byproducts get knocked back with thorough in-process controls. We do not sacrifice purity — test records show a typical purity range of 98% and above, with GC and HPLC often confirming tighter bounds for specialty needs. Every bottle and drum ships with full batch traceability, matching our in-house QA data with customer feedback and real-world applications.

    Hands-on Experience: Usage That Drives Results

    Researchers in medicinal chemistry appreciate this acetonitrile derivative for its electron-withdrawing trifluoromethoxy, which stabilizes intermediates and encourages selective coupling or cyclization. In actual process chemistry, 4-(Trifluoromethoxy)Benzoyl Acetonitrile adds significant synthetic flexibility as a building block for substituted benzenes and heterocyclic scaffolds. Customers report stronger yields in Suzuki, Heck, and Buchwald reactions, due to the resonance effects this group imparts. This translates to more defined product points in downstream steps, especially for companies pursuing SAR (structure-activity relationship) studies in lead compound development. The acetonitrile group further serves as a strategic site for functionalization, enabling extensions into nitrile hydrolysis, reductive amination, or transformation into amides and acids.

    Our technical teams observe a pattern: projects using this intermediate shave off unnecessary process steps and reduce byproduct loads compared with alternatives like standard benzoyl acetonitrile or variants lacking the trifluoromethoxy group. In pilot and commercial scales, plant operators note easier dissolution in organic solvents, clean filtration, and robust recovery in crystallization, even under batch cycling conditions. Chemists navigating late-stage synthesis find they rarely have to adjust solvent ratios or reaction temperatures outside normal parameters—years of refinement in our production methods reinforce these advantages.

    What Sets 4-(Trifluoromethoxy)Benzoyl Acetonitrile Apart?

    Every new molecule brings its quirks. From our hands-on operations, 4-(Trifluoromethoxy)Benzoyl Acetonitrile distinguishes itself in two ways: its effect on electron distribution within the target molecule and its notable hydrolytic stability. The trifluoromethoxy group increases the aromatic ring’s resistance to unwanted side reactions, protecting the integrity of downstream syntheses, especially under harsh conditions where less robust nitrile intermediates falter. This stability has been especially useful to customers working on APIs and crop science candidates destined for regulatory review. Evidence from in-house stability studies shows minimal decomposition even after weeks in storage at room temperature, and this has direct impact on real-world supply chain planning—consistent shelf life underpins confidence for project managers and purchasing officers.

    We often receive feedback from formulation chemists who compare subtle properties across similar intermediates. Compounds with plain benzoyl acetonitrile or p-methoxy substitutions tend to display less chemical stability and less attractive handling characteristics in actual process environments. The trifluoromethoxy-carbonyl group offers added polarity and electron withdrawal, leading to improved reaction selectivity, as proven by yield differences in parallel lab trials. Taking it further, some of our clients have presented internal data highlighting how the unique substitution supports downstream halogenation, acylation, or fluorination, avoiding troublesome local side reactions associated with unprotected substrates. Our production data matches these claims: pilot campaigns produce better throughput and fewer purification cycles.

    Applications Driving the Industry

    4-(Trifluoromethoxy)Benzoyl Acetonitrile is not restricted to a single application. Small molecule pharmaceutical programs introduce it as a crucial node for metabolic stability. Agrochemical researchers gravitate to it for its contribution to solubility and field life in crop protection agents. Materials scientists use it while pushing for better surface properties or adhesion modifiers. In each setting, the compound performs as more than a raw starting point—it shapes the characteristics of the resulting molecular framework. Testimonials from medicinal chemists confirm that introducing this group yields leads and candidates with more favorable ADME profiles.

    We see it commonly engaged in the synthesis of finely tuned intermediates. In some projects, the compound acts as a direct synthon for anti-inflammatory and cancer pharmacophores. In others, it provides a customizable node in liquid crystal research, contributing to improved dielectric and viscosity profiles. Orders bound for agrochemical firms use this intermediate in scenarios where shelf life, UV stability, and water solubility matter most for efficacy and safety. By working with both R&D groups and commercial production managers, we identify data-driven methods that help smooth out process hiccups. For example, finer control over filtration and solid recovery means fewer bottlenecks, while the enhanced chemical stability keeps projects on schedule through multi-month campaign cycles.

    Process Challenges and “Lessons Learned” in Manufacturing

    Producing a high-purity acetonitrile intermediate is not a “set it and forget it” affair on a commercial scale. Early campaigns faced challenges like incomplete reactions, off-spec color, or impurities stemming from uncontrolled temperature ramps. Through methodical tweaking of solvent choices and continuous feedback loops with end users, we fine-tuned the reaction conditions and improved product recovery. Process control investments, like automated temperature monitoring and in-line pH checks, have slashed batch rework rates. Tight monitoring of trifluoromethylating reagents creates a safer working environment and maintains the desired isomer ratio.

    Handling the raw trifluoromethoxybenzoyl chloride and the choice of base dramatically impact final impurity profiles. By designing cleaning cycles for reactors and work-up equipment using solvent blends appropriate for trace residue removal, we keep cross-contamination at bay. Internal audits focus on cleaning validation, and staff receive weekly updates on equipment checks—experience shows that even minor surface fouling can impact product quality, especially for customers requiring ultra-low metal or halogen content.

    Shipping sensitive intermediates to research-heavy locations, especially those with variable weather, forced us to rethink drum liners and moisture barriers. Tests with desiccant packets, triple-layered liners, and fast-cycling warehouse doors have led to better arrivals for our customers, according to post-shipment stability samples. We now provide detailed handling instructions based on real data from analytical retests, rather than standard “store cool and dry” boilerplate. These practical adjustments cut risk for loss and keep project timelines intact all the way from loading bay to lab bench.

    Supporting Regulatory and Analytical Demands

    As the regulatory screw tightens worldwide, our experience with auditing bodies comes into play. Analytical support spans from basic HNMR and LCMS runs up to full impurity profiling for customers facing EMA, FDA, or REACH submissions. Over the last decade, we built an internal database of synthetic byproducts commonly associated with 4-(Trifluoromethoxy)Benzoyl Acetonitrile, allowing quick troubleshooting if customer-side QC teams detect anything unexpected. Rarely does a partner face a question our team has not fielded before—whether it concerns leachable studies, nitrosamine risk, or photographic proof for chain of custody.

    Practical insights from repeated analytical runs drive our improvements. For example, we learned early that trace dimethyl sulfoxide from certain crystallization protocols tends to co-elute with the acetonitrile peak under low-wavelength detection. Modifications in drying temperature and residual solvent purging largely solved this, keeping total residual solvents below international ICH Q3C guidelines. Finished goods consistently meet internal and external cutoffs, confirmed by both third-party labs and multi-site recovery trials.

    Feedback from the Field: Real-World Experiences

    We encourage direct feedback from clients tackling challenging multi-step syntheses. Process chemists from several pharmaceutical companies report fewer purification cycles and noticeably higher mass recoveries, especially in steps involving metal-catalyzed couplings or late-stage derivatization. In talking to project managers, we hear that budget overruns from unplanned process deviations drop when using this robust intermediate. They credit this to better solubility, higher product stability, and less need for “process rescue” additions or ad hoc impurity removal efforts.

    In the agrochemical and specialty chemicals sphere, several partners share that their pilot lines demonstrate less batch-to-batch drift, likely due to the consistent physical properties of our product. No one wants emergency recalibration of filters or distillation units mid-campaign; our experience shows that consistent crystallization and bulk density values translate into less line downtime. As a manufacturer, hearing that our work helps keep industrial operations running smoothly matters as much to us as passing the next batch record review or impurity assessment.

    Working with Chemists, Not Around Them

    As the direct producers, our forge is not just the reactor but the ongoing stream of conversations with hands-on users. Open exchange with synthetic chemists lets us refine particle size ranges, rethink packaging weights for easy transfer, or even tweak compliance documentation to fit the realities of industry audits. Contributing practical fixes—whether that means small adjustments in drying steps or including granular QC snapshots in each lot—roots our products in real laboratory and pilot plant routines.

    From the earliest stages of client engagement, we work on integrating logistical and technical support. For example, arranging spot shipments or drop-in technical visits when customers face unique troubleshooting needs keeps projects on track. Over time, deeper relationships with clients mean we better predict changes in regulatory requirements or shifts in market demand, preparing us for any turn in project scale or complexity.

    Why Direct Manufacturing Matters

    Producing 4-(Trifluoromethoxy)Benzoyl Acetonitrile in-house means total oversight from the first raw material barrel to the last batch certificate. We invest in raw material vetting, equipment upkeep, and continuous operator training so projects relying on our intermediates can move forward confidently. Our daily work depends on hands-on knowledge—there’s no substitute for seeing which step in a reaction gives off the wrong smell, or which batch doesn’t filter out like it should. Tracking subtle shifts in yield or purity guides our process improvements and leads directly to the stability and reliability that downstream researchers expect.

    Clients working on complex synthesis routes value transparency and open access to production history, not just a product spec sheet. If a challenge emerges in scale-up, we provide original process notes and batch histories—not merely a number or range, but a real record of each run’s challenges and responses. Teams targeting new regulatory submissions often rely on this level of documentation to pass their own audits and meet rising international standards. The real-world difference of having this origin-to-end traceability can be the difference between a program making its milestone or facing avoidable delays.

    Evolution and Opportunities

    Commercial synthesis never stays static. As the synthetic community pushes for greener, more efficient chemistry, our team is already evaluating process upgrades. For instance, we’re investigating alternative reagents to reduce environmental impact, and working on recycling solvent systems without sacrificing purity or yield. Ongoing trials with continuous flow setups aim to cut down waste, shave reaction times, and offer even more rapid turnaround for urgent R&D timelines.

    Many clients position their programs for rapid response to market shifts, whether that means a new pharmaceutical target or adjustments in agrochemical registration criteria. Providing a robust, reliable intermediate lets these groups pivot or accelerate their own projects. We aim to stay ahead of coming regulatory demands by investigating lower metal content reagents, and we continue to accumulate end-use data on process safety, shelf life, and product performance.

    Manufacturers investing in modern, data-driven process controls put themselves in a stronger position to deliver both value and compliance. By listening to feedback in QC meetings, running parallel tests under stress conditions, and always verifying not just chemical but practical batch reproducibility, we ensure our product becomes a valuable part of more than one customer’s toolkit.

    Looking Forward: Growing with Our Clients

    4-(Trifluoromethoxy)Benzoyl Acetonitrile stands out not simply as another intermediate, but as a result of years spent fine-tuning the balance between molecular complexity and process reliability. Our ongoing improvements spring from the daily work on the production floor, in the QC labs, and through candid conversations with clients across pharmaceutical, agrochemical, and specialty chemical markets.

    By dedicating energy to both chemistry and service, we help clients reach sharper timelines, steadier operations, and higher product quality. Every challenge—whether a stubborn impurity or unpredictable storage issue—teaches us new routes for improvement. As emerging technologies and analytical standards continue to rise, we remain committed to delivering both a solid product and a straight line of communication with those who depend on it. In this partnership, experience always proves as valuable as any molecule in the vial.