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3-(Trifluoromethyl)Benzoylacetonitrile

    • Product Name 3-(Trifluoromethyl)Benzoylacetonitrile
    • Alias 3-(Trifluoromethyl)phenylacetonitrile
    • Einecs EINECS 246-338-4
    • 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
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    199617

    Chemical Name 3-(Trifluoromethyl)Benzoylacetonitrile
    Molecular Formula C10H6F3NO
    Molecular Weight 213.16 g/mol
    Cas Number 350-45-6
    Appearance White to off-white solid
    Melting Point 67-71°C
    Solubility Soluble in organic solvents (e.g., DMSO, methanol)
    Purity Typically ≥98%
    Smiles CC(=O)C(C#N)C1=CC(=CC=C1)C(F)(F)F
    Inchi InChI=1S/C10H6F3NO/c1-7(15)6-8-3-2-4-9(5-8)10(11,12)13/h2-5H,6H2,1H3
    Storage Conditions Store at room temperature, keep container tightly closed
    Synonyms 2-Cyano-1-(3-trifluoromethylphenyl)ethan-1-one

    As an accredited 3-(Trifluoromethyl)Benzoylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 100g of 3-(Trifluoromethyl)Benzoylacetonitrile is supplied in a sealed amber glass bottle with a tamper-evident screw cap.
    Shipping 3-(Trifluoromethyl)Benzoylacetonitrile is shipped in tightly sealed containers, protected from moisture and light. It is handled as a chemical substance, following standard safety protocols, including proper labeling and documentation. The product is transported in accordance with relevant regulations for hazardous materials to ensure safe delivery and environmental protection.
    Storage Store 3-(Trifluoromethyl)benzoylacetonitrile in a tightly sealed container, in a cool, dry, and well-ventilated area, away from moisture, heat, ignition sources, and incompatible substances such as strong oxidizers and acids. Protect from direct sunlight. Clearly label containers and ensure appropriate chemical spill containment measures are in place. Use only in a laboratory equipped for handling organic chemicals.
    Application of 3-(Trifluoromethyl)Benzoylacetonitrile

    Applications of 3-(Trifluoromethyl)Benzoylacetonitrile in Industrial Manufacturing

    As a direct manufacturer specializing in fluorinated intermediates, we support advanced industrial applications with 3-(Trifluoromethyl)Benzoylacetonitrile as a specialty building block. The following sections describe proven, large-scale downstream usage environments where this compound delivers reliable performance as a reaction intermediate, with detailed insight into industry compliance, formulation levels, process integration points, and finished product types.

    1. Pharmaceutical API Intermediate for Fluorinated Heterocycles

    Specialty pharmaceutical manufacturers use this compound as a critical intermediate for synthesizing pyridine and quinoline derivatives, especially in anticancer and CNS drug R&D. Its unique trifluoromethyl group enables targeted late-stage functionalization required by advanced active ingredients meeting modern regulatory standards.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP/NF Monographs (relevant to the final API class)
    • FDA 21 CFR Part 211
    • European Pharmacopoeia (Ph. Eur.) guidelines for synthesis intermediates

    Typical usage ratio

    • 0.8%–4.5% relative to total reaction mass, adjusted to route yield and impurity profile

    Downstream process integration

    • Added during early-stage construction of the fluorinated aromatic ring system, generally through Knoevenagel condensation or Michael addition, followed by cyclization under basic or acidic conditions

    Final product types

    • Active Pharmaceutical Ingredients in oncology (e.g., fluorinated cytostatics)
    • CNS-active compounds targeting depression-resistant pathways
    • Small-molecule kinase inhibitors
    • Anti-infective intermediates for later functionalization

    2. Agrochemical Synthesis of Trifluoromethylated Herbicide Ingredients

    Crop protection chemical producers rely on this raw material to introduce trifluoromethyl groups into selective herbicide scaffolds, delivering critical bioactivity and soil stability enhancements needed for modern regulatory approval. Its high purity and defined reactivity paths minimize by-products in large-scale agrochemical syntheses.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • OECD Guidelines for the Testing of Chemicals (pesticide synthesis)
    • ISO 9001:2015 certified process quality controls
    • EPA 40 CFR Part 158 (USA Agrochemical data requirements)

    Typical usage ratio

    • 1.2%–3.8% relative to batch mass, with precision adjustment for yield and environmental residue minimization as per registration dossier

    Downstream process integration

    • Introduced in the step forming the aromatic core through nucleophilic aromatic substitution or aldol condensation, then used for further acylation or heterocycle closure

    Final product types

    • Trifluoromethylated herbicides for broadleaf and grass weeds
    • Selective pre-emergence herbicidal active compounds
    • Intermediates for fungicide seed treatments
    • Customizable crop protection agents for regional climates

    3. Fine Chemical Intermediate in Specialty Dye and Pigment Synthesis

    Producers of high-performance specialty dyes and pigments implement this aromatic nitrile in the preparation of fluorinated dye precursors, especially for textile, inkjet, and industrial coatings where lightfastness and solvent resistance are critical performance drivers. The electron-withdrawing trifluoromethyl group allows formulation chemists to achieve required spectral shifts and durability in end-use.

    Industry compliance standards

    • REACH Regulation (EC) No. 1907/2006 for chemical intermediates
    • GHS/CLP (EU Classification, Labelling and Packaging)
    • ISO 9001:2015 Quality Management for batch-manufactured colorants
    • Oeko-Tex Standard 100 (for finished textile applicants)

    Typical usage ratio

    • 0.5%–2.7% in precursor synthesis, with ratio dependent on desired chromatic properties and batch scale

    Downstream process integration

    • Used in aromatic acylation reactions and azomethine dye coupling; generally reacted with anilines, hydroxy compounds, or diazonium salts before further functionalization steps

    Final product types

    • Fluorinated azo dyes for textiles
    • Industrial-grade pigments for high-end automotive coatings
    • Inkjet printer pigment dispersions
    • Lightfast colorants for outdoor signage

    4. Intermediate for Advanced Materials: Liquid Crystal Display (LCD) Precursors

    Electronic chemical manufacturers use this compound in the synthesis of fluorinated aromatic intermediates critical for advanced liquid crystalline molecules. Its specific structure contributes essential rigidity and dipole parameters, supporting high-performance displays with fast response times and thermal stability, in line with rising industry quality expectations.

    Industry compliance standards

    • RoHS Directive 2011/65/EU (hazardous substance use in electronics)
    • IEC 62474 (material declaration in electronics)
    • ISO 14001:2015 for environmental management
    • UL 94 (flammability requirements, applicable to final LCD modules)

    Typical usage ratio

    • 0.3%–1.5% of total monomer charge in precursor synthesis, with direct adjustment for mesogenic core design and performance profile required by device makers

    Downstream process integration

    • Inserted during coupling and condensation steps yielding mesogenic aromatic nitriles, often via Suzuki coupling or Friedel–Crafts acylation as part of a multi-step synthesis line

    Final product types

    • Liquid crystal monomers for high-resolution LCD panels
    • Advanced mesogenic mixtures for OTFT displays
    • Specialty intermediates for OLED component formulations
    • Functionalized molecules for optical compensation films

    5. Active Intermediate in Veterinary Drug Substance Synthesis

    This specialty intermediate plays an essential role in the multi-step synthesis of modern veterinary pharmaceuticals, especially for creating fluoroaromatic APIs that require persistent bioactivity against resistant zoonotic pathogens. Leading animal health companies select this compound for route efficiency and minimal residual solvents in downstream processing.

    Industry compliance standards

    • VICH GL10 Good Manufacturing Practice for Active Pharmaceutical Ingredients in Veterinary Medicinal Products
    • Pharmacopoeia Europaea (Ph. Eur.) veterinary monographs
    • Chinese Veterinary Pharmacopoeia (CVP)
    • ISO 22583:2020 Veterinary drugs—Good Manufacturing Practices

    Typical usage ratio

    • 1.1%–3.2% per synthesis batch, adjusted for animal dosage requirements and metabolite profile control

    Downstream process integration

    • Enters the process during core aromatic substitution steps or in cyclization stages before halogenation and formulation into final API

    Final product types

    • Fluorinated antiparasitic agents
    • Veterinary antibiotics for livestock and companion animals
    • Feed additive intermediates with improved bioavailability
    • Animal vaccine adjuvant intermediates
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    Certification & Compliance
    More Introduction

    Introducing 3-(Trifluoromethyl)Benzoylacetonitrile – The Real-World Essential for Advanced Synthesis

    Our Experience with 3-(Trifluoromethyl)Benzoylacetonitrile

    Every batch of chemicals tells a story in our plant. 3-(Trifluoromethyl)Benzoylacetonitrile has become a core ingredient for many research and industrial labs, and there’s a reason it’s carved out a reputation of reliability among chemists. We handle the production right from sourcing up to the final packing, closely watching the quality at each stage. There’s a basic satisfaction in knowing the final bottle you ship off will meet the promise of repeatable results in every reaction. Through years of process tweaks, our runs of 3-(Trifluoromethyl)Benzoylacetonitrile have shown clean, consistent performance, with little headache for those relying on it for further synthesis work.

    What Sets this Compound Apart

    Unlike simple benzoyl derivatives, this molecule carries a trifluoromethyl group—three fluorines tightly bound to a carbon and anchored to the aromatic ring. In our experience, this fluoro modification shapes everything from the reactivity to the behavior in solution. In practice, these features prove invaluable. The nitrile function opens up possibilities in pharmaceutical routes, specialty materials, and agrochemical intermediates, while the trifluoromethyl side amplifies metabolic stability and lipophilicity — properties often sought after by drug development teams or those designing specialty compounds.

    Many in the synthesis community find that adding a trifluoromethyl group often boosts biological activity, extends half-lives for target molecules, and improves compound penetration in complex systems. We’ve seen partners run structural analog studies with and without the trifluoromethyl and routinely report sharper outcomes on biological screens when it’s built in. Compared to benzylic precursors lacking the trifluoromethyl or alternative nitrile compounds, our product holds up strong under rigorous use conditions. Where other acetonitrile derivatives break down, ours stands resilient, supporting higher yields and cleaner downstream reactions.

    Specifications Our Partners Trust

    Our 3-(Trifluoromethyl)Benzoylacetonitrile comes as pure off-white crystals, often settling into compact powder clusters after drying. Every kilo runs through thorough analytical checks. Using HPLC and NMR, we check for a purity standard that consistently reaches above the 98 percent threshold. Moisture levels stay low due to our custom vacuum-drying and nitrogen-sealed packaging—this effort pulls double duty, preventing both hydrolysis and unwanted side reactions when it reaches your bench.

    Melting point matters to many of those operating in the pharmacy or advanced materials fields. We’ve consistently measured reliable values that align with published literature, giving a handy screening tool for those needing dependable, solid-phase handling. Because we control every aspect of recrystallization and solvent removal, batch-to-batch variation stays minimal, even when scaling up runs significantly. This consistency has proven crucial during audit requests for documented production trails, often demanded by larger pharmaceutical and research houses.

    Application Cases — More Than Just Another Benzoyl Intermediate

    Pharmaceutical discovery teams come to us looking to fine-tune molecular backbones with improved ADME (absorption, distribution, metabolism, excretion) profiles. The trifluoromethyl group is known to improve metabolic robustness. More than once, partners shifting from chloro- or methyl substituted intermediates have commented on the increased oxidative stability and different binding profiles provided by the trifluoromethyl variant. This feedback guides continuous process improvements in our own manufacturing plant, keeping us alert to subtle but crucial demands from the synthesis community.

    Our product finds regular use in masked nitrile strategies, allowing end-users to introduce reactive functionalities late in a project timeline. The added electron-withdrawing effect of the trifluoromethyl group enables precise control of reactivity in condensation and cross-coupling reactions. Research groups working on heterocyclic development, for example, have highlighted the improved selectivity our intermediate offers compared to less electronically activated acetonitrile derivatives. In agricultural R&D, molecular designers chart out routes to new pesticide candidates using our product’s unique electronic footprint, chasing better selectivity and persistence.

    We routinely engage with university researchers and contract manufacturers experimenting at the edge of synthetic methodology. Time after time, teams dig into comparative studies and point to the smooth conversion pathways and tolerance in multiple reaction modalities—Michael additions, base-mediated cyclizations, and more. The feedback that matters most to us comes from those doing multi-step syntheses, tracing every impurity, and needing a compound that doesn’t complicate intermediates downstream. It’s in these feedback loops we see the hard value our real-world experience brings to each batch produced.

    Differences Compared to Similar Products

    The chemical marketplace houses scores of benzoylacetonitriles, many with small tweaks to their aromatic or sidechain structures. We’ve spent countless hours running side-by-side tests against these compounds in reactions. Standard benzoylacetonitrile without the trifluoromethyl group typically falls short on both stability and yield in fluorinated product libraries. Chloro and bromo analogs can improve reactivity in some settings, but tend to introduce scale-up challenges from increased toxicity or poor solubility. The trifluoromethyl group sidesteps much of these headache factors.

    By manufacturing this variant in-house, we address not only the core molecular design, but also the process quirks—keeping impurity profiles well defined, ensuring solvents and process aids never bleed through, and maintaining granular control over the finished material. Unlike generic offerings seen in bulk listings, our production lines never take shortcuts with the drying or final packing phases; we’ve seen far too many cases where moisture or packaging missteps compromise the entire downstream route. The upshot for our customers: cleaner reaction profiles, fewer repeat runs, and, from what they tell us, fewer calls to troubleshoot stubborn transformations.

    Our 3-(Trifluoromethyl)Benzoylacetonitrile also differs in how it supports diverse reaction conditions. Many analogs work well only within tight pH windows or lose integrity at higher temperatures. This compound remains solid and reliable through varied condensation chemistries and robust in all standard organic solvents—choosing between DMF, DMSO, THF, or traditional aqueous-organic blends. Anyone who’s spent late hours chasing down error sources knows what that can mean to an R&D timeline.

    Learning Through Experience – Tackling Production Challenges

    Few stories shape a manufacturer’s experience like equipment breakdown during a large-scale synthesis. Several years back, we faced an abrupt cooling system failure in the midst of a crucial trifluoromethylation run. Tight temperature control influences the selectivity and overall yield of 3-(Trifluoromethyl)Benzoylacetonitrile. Working with our crew, we devised manual ice bath protocols while retrofitting secondary controls — a costly pivot, but one that saved the batch. Failures like these shift the way you build process redundancies and quality assurance steps.

    That experience taught us the substance rarely forgives sloppy temperature management during key condensation reactions. Small deviations—not even visible at first—prompted by a faulty thermostat set off impurity spikes noticed only in later HPLC checks. Adjustments in our cooling circuits and alarm systems now form a constant presence during production. This commitment to tight process windows echoes back in customer reports: batches stay consistent, and reaction bottlenecks have dropped substantially.

    Scaling production up from grams to multiple kilos revealed new hurdles. The exothermic nature of some steps with trifluoromethyl reagents can pose safety risks for both the crew and the product. Heat removal isn’t just a checklist item, it’s a daily focus—one slip and a reaction can run hot, complicating purification and yield. Our investment in automated calorimetry and real-time monitoring isn’t about chasing a lab curiosity, it’s about protecting both operator safety and the chemical integrity our clients expect each time.

    Why Our Approach Matters to Consistent Results

    There’s no substitute for in-house manufacturing control when consistency matters. We’ve stood alongside process chemists working through scale-up headaches from outsourced or loosely specified intermediates. Maybe the off-batch had a slightly different impurity, or a missing certificate detail. What do you do in a rush — rerun a key reaction, push out a timeline, or hope you can repurify? Good production eliminates reruns and keeps project risk low.

    Customer teams tell us how small differences in trace impurities or residual water create surprise roadblocks in final step reactions. Working closely with our QC analysts, we design the workflow to catch these invisible factors long before packing. Some larger buyers even visit our operation to see the process in person, giving them peace of mind before any scale-up stage. This real-time interaction isn’t a cost or an overhead, but a battle-tested method for eliminating last-minute setbacks across a development portfolio.

    Another lesson from experience — detailed documentation at every step means never relying solely on final assay data. Problems caught during filtration, drying, or solvent stripping shape the protocols for the next batch. We’ve logged dozens of minor but key adjustments over the years, each one shrinking the risks and costs of rework. Many labs shopping for 3-(Trifluoromethyl)Benzoylacetonitrile struggle to get this kind of transparency. It’s not a secret sauce, just a hard-earned habit from walking the production floor.

    Supporting Innovation in Real Lab Settings

    The best solutions rarely happen overnight. Customers working on new active pharmaceutical ingredients, smart polymers, or high-performance agrochemicals often have only a few months to move from idea to proof-of-concept. An intermediate either pulls its weight or slows the project. We’ve worked directly with partners to tailor drying protocols or suggest storage improvements that prevent hydrolysis or amide formation during transit.

    Our technical advisors regularly field questions from users pushing the edge with multi-step cascade reactions, metal-catalyzed couplings, or photochemistry. Sometimes, it’s a fast run of spectra from a new batch that assures a partner of material integrity. At other times, it’s hands-on help troubleshooting a sudden shift in reactivity. This responsiveness grows out of experience, not corporate policy—most issues are solved faster by chemists with boots on the ground rather than by call-center intermediaries.

    The lessons learned in production also translate into practical support for small-scale users. Limited budgets often mean no margin for error in purchasing. No one wants to pay for a kilo only to discover post-delivery that a small impurity derails half a semester’s research. We offer run data and impurities profiles up front, helping academic and startup labs get it right with minimal waste. These partnerships find their footing as much through reliability as by price point.

    Continuous Process Improvement in Chemical Manufacturing

    Our focus on 3-(Trifluoromethyl)Benzoylacetonitrile has never been static. We routinely revisit batch records, feedback, and process data to fine-tune performance. In chemical production, even small shifts in solvent ratios or agitation speeds show major gains in crystallinity or filterability. For a while, we encountered extended drying times during humid stretches. By reorganizing our drying equipment and isolating product rooms with stricter humidity controls, each batch now dries evenly and packs faster.

    Input from industry colleagues often points us to new process improvements. At a recent symposium, a partner flagged a discrepancy in UV absorption readings between two supply sources. Comparing notes and samples, we identified trace solvent residues that slipped through in one supplier’s process. This kind of open dialogue doesn’t just drive better quality, it points to industry-wide improvement possibilities. We take these learnings straight to our in-house labs, adjusting both detection protocols and product finishing steps.

    Another area of ongoing development involves sustainable process design. Traditional routes for introducing trifluoromethyl groups lean on specialty reagents or use energy-intensive steps. We continue to invest in greener alternatives—lower temperature reactions, reduced solvent volumes, and efficient by-product recovery. These adaptations stem not from regulatory pressure, but from day-to-day observation of waste and equipment wear, aiming for both economic and environmental gains.

    Future Outlook – What’s Ahead for 3-(Trifluoromethyl)Benzoylacetonitrile

    The appetite for fluorinated intermediates keeps rising as new industries catch on to their benefits. Specialty polymers, crop protection, advanced electronics—all want the stability, improved transport, and environmental durability trifluoromethyl groups bring. We see increased requests for custom scaling, tighter impurity controls, and novel physical forms to meet fast-changing regulatory and technical standards.

    Keeping pace means not only refining existing production but anticipating partner needs. Some teams now want pre-dosed or tabletized forms for automated reactors, while others ask for ultra-dried product for sensitive photochemistry setups. What matters is direct feedback—ideas don’t just percolate in R&D labs, but come from users’ hands-on experience. This continuous dialogue powers the evolution of our manufacturing plant as much as any technology upgrade.

    Expanding industry partnerships sits squarely in our future plans. Collaborative work with major and emerging players offers a front-row seat to the next generation of applications. Whether developing a cleaner process for introducing trifluoromethyl groups or redesigning packing formats for emerging automation platforms, we draw insight from working together with users both in industry and academia.

    Those using 3-(Trifluoromethyl)Benzoylacetonitrile know that real progress comes from both bench and plant—less from theoretical claims or generic spec sheets, and more from material that works in real reactions, day after day. Our commitment is to keep learning, keep refining, and stay responsive to everyone shaping the next wave of chemical discovery.