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4-(Trifluoromethylthio)Phenylacetonitrile

    • Product Name 4-(Trifluoromethylthio)Phenylacetonitrile
    • Alias 4-(Trifluoromethylthio)benzyl cyanide
    • Einecs 400-180-7
    • 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
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    Specifications

    HS Code

    215583

    Product Name 4-(Trifluoromethylthio)Phenylacetonitrile
    Cas Number 300812-47-7
    Molecular Formula C9H6F3NS
    Molecular Weight 217.21 g/mol
    Appearance White to off-white solid
    Melting Point 60-64°C
    Solubility Soluble in organic solvents such as DMSO and DMF
    Purity Typically ≥98%
    Smiles N#CCc1ccc(SC(F)(F)F)cc1
    Inchi InChI=1S/C9H6F3NS/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
    Storage Conditions Store at 2-8°C, tightly sealed
    Synonyms 4-(Trifluoromethylthio)benzyl cyanide

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

    Packing & Storage
    Packing Amber glass bottle, 25 grams, screw cap, labeled with product name, CAS number, hazard pictograms, supplier details, and storage instructions.
    Shipping 4-(Trifluoromethylthio)Phenylacetonitrile is shipped in tightly sealed containers, protected from moisture and light. It should be handled as a hazardous chemical in accordance with local regulations, with labeling and documentation. Transport typically occurs via ground or air freight, in compliance with UN hazardous materials guidelines and applicable chemical transport safety standards.
    Storage Store **4-(Trifluoromethylthio)phenylacetonitrile** in a tightly sealed container in a cool, dry, well-ventilated area, away from sources of ignition, heat, and incompatible substances such as strong oxidizers. Protect from moisture and direct sunlight. Ensure proper labeling and use appropriate secondary containment. Access should be restricted to trained personnel equipped with suitable personal protective equipment (PPE).
    Application of 4-(Trifluoromethylthio)Phenylacetonitrile

    Applications of 4-(Trifluoromethylthio)Phenylacetonitrile in Industrial Manufacturing

    4-(Trifluoromethylthio)Phenylacetonitrile finds specialized roles in several precision-driven downstream chemical manufacturing environments. We produce this intermediates to achieve consistent integration in high-value synthesis routes, contributing to stringent process requirements and precise performance targets across multiple industrial sectors.

    1. Pharmaceutical Active Ingredient Synthesis

    Many API manufacturers select this aromatic nitrile to construct trifluoromethylthio-containing scaffolds in original small-molecule drug synthesis. The material typically enters as a building block for targeted molecular modification during lead optimization, enhancing metabolic stability and increasing receptor selectivity in late-stage routes for specialty and orphan drugs. Production environments require precise control of impurity profiles, as this intermediate can affect downstream chromatographic separation and final API purity.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP, ICH Q7)
    • United States Pharmacopeia (USP for relevant APIs)
    • European Pharmacopoeia (Ph.Eur for relevant APIs)
    • FDA Process Validation Guidance (for finished drug substances)

    Typical usage ratio

    • Batchwise addition between 1.2 and 1.6 molar equivalents, adjusted to minimize byproduct formation, depending on the coupling partner and desired yield.

    Downstream process integration

    • Introduced at the stage of aromatic acetonitrile condensation or nucleophilic substitution during multi-step synthesis, followed by hydrolysis or reduction in late-stage API elaboration.

    Final product types

    • Small-molecule APIs targeting central nervous system disorders
    • Antiviral compounds containing trifluoromethylthio motifs
    • Patent-protected R&D intermediates for medicinal chemistry

    2. Agrochemical Intermediate Manufacturing

    Key global crop protection companies employ this specialty acetonitrile to synthesize herbicide or fungicide actives featuring trifluoromethylthio-substituted aromatic rings. Its electron-withdrawing group boosts environmental stability and prolongs field persistence, while formulation chemists value its controllable reactivity in selective alkylation steps. Accurate weighing and staged addition are crucial during large-scale batch production to maintain consistent performance attributes of the downstream product.

    Industry compliance standards

    • FAO/WHO Agricultural Pesticide Specifications
    • REACH (EC 1907/2006) Registration for intermediates
    • ISO 9001:2015 Quality Management for intermediates supply
    • GLP (Good Laboratory Practice) when used in research batch validation

    Typical usage ratio

    • Direct introduction at 0.8–1.4 parts by weight per 100 parts of active base, tailored to the alkylation method and the desired halogen balance in the active molecule.

    Downstream process integration

    • Scaled into the core aromatic substitution during the synthesis of fungicide actives, typically prior to chiral resolution or microencapsulation stages.

    Final product types

    • Trifluoromethylthio-substituted fungicide actives (e.g., for rice and wheat protection)
    • Herbicide intermediates used in post-emergence formulas
    • Integrated active compounds in custom-blended pesticide preparations

    3. Specialty Liquid Crystal Monomer Synthesis

    Producers of high-end LCD and OLED display materials turn to this phenylacetonitrile for the controlled introduction of trifluoromethylthio groups into liquid crystal monomers. Its functional performance relies on the strict elimination of residual metal catalysts and careful control of reaction time to deliver ordered mesogenic core fragments. Adherence to electronics-grade purity is mandatory to prevent migration or ionization effects in display substrates designed for consumer electronics.

    Industry compliance standards

    • IEC 61249 (Halogen-free material content)
    • RoHS 3.0 (EU 2015/863) for hazardous substance restriction
    • ISO 14001 for environmental management in electronics intermediate production
    • JEITA ED-7306 (Organic materials for liquid crystal displays)

    Typical usage ratio

    • Typically 0.5–1.0 molar equivalent per monomer precursor batch, with the ratio engineered for alignment characteristics and thermal stability in target phases.

    Downstream process integration

    • Fed into the arylation or cyclization steps, prior to polymerization of the final mesogenic compounds, using moisture-controlled, catalyst-mediated flow reactors.

    Final product types

    • Custom polymerizable liquid crystal monomers for display films
    • Intermediate blocks for advanced display optical films
    • Alignment layer materials for OLED manufacturing

    4. Advanced Organic Electronic Materials

    Manufacturers developing semiconducting materials for organic field-effect transistors (OFETs) and organic photovoltaics (OPVs) utilize this fluorinated phenylacetonitrile as a precursor for strong electron-deficient units. Monomer synthesis for organic semiconductors demands rigorous exclusion of moisture and trace metals, as these impurities impact charge carrier mobility and film uniformity. Stringent documentation of traceability is required due to export regulations on sensitive electronic materials.

    Industry compliance standards

    • IPC-6012DA (Printed Circuit Board industry, requirements for China and Asia)
    • REACH-compliant registration for electronic intermediates
    • ANSI/ESD S20.20 (Electrostatic discharge controls for electronics)
    • UL 94 (Flammability requirements for polymeric materials)

    Typical usage ratio

    • Processed at 0.7 to 1.2 molar equivalents versus target di- or tri-bromo coupling partners, ratio optimized per desired bandgap in molecular design.

    Downstream process integration

    • Charged into Suzuki or Stille cross-coupling stages, forming key donor-acceptor segments before polymerization and thin film deposition for electronic device fabrication.

    Final product types

    • OFET semiconducting layers for display driver ICs
    • Organic photovoltaic cell photoactive polymers
    • Thin film organic diodes for sensor arrays

    5. Fine Chemical Synthesis for Sulfur-Containing Dye Intermediates

    Producers of high-performance dyes and pigment intermediates employ this molecule for the introduction of trifluoromethylthio substituents in aromatic frameworks. Its use allows for the synthesis of dyes with enhanced hydrophobicity and increased spectral stability, suitable for niche applications such as photoresist coloring and high-durability textile coloration. Careful monitoring of temperature and pH during diazotization and coupling reactions ensures optimal color intensity and reproducibility in end formulations.

    Industry compliance standards

    • OEKO-TEX Standard 100 (for textile applications)
    • EN 71-3 (Limits of heavy metals in colorants for toys and textiles)
    • ISO 9001:2015 (Quality management in dye intermediate production)
    • ZDHC MRSL (Zero Discharge of Hazardous Chemicals)

    Typical usage ratio

    • Incorporated at 0.6–1.1 molar equivalents relative to core aromatic bases, adjusted based on targeted absorption maxima and solubility profiles.

    Downstream process integration

    • Engaged during electrophilic aromatic substitution or diazotization, prior to final coupling and stabilization for finished dye intermediates.

    Final product types

    • Sulfur-modified azo and anthraquinone dyes
    • Pigment intermediates for specialty printing inks
    • Colorants for high-durability fiber and film applications
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    Certification & Compliance
    More Introduction

    4-(Trifluoromethylthio)Phenylacetonitrile: Advancing Fine Chemistry with Hands-On Experience

    What Sets Our 4-(Trifluoromethylthio)Phenylacetonitrile Apart

    Any manufacturer stepping into the business of trifluoromethylthio derivatives recognizes the importance of accuracy and reliability. Years of optimizing batch and continuous synthesis of aromatic acetonitriles have taught us that purity goes further than a single specification on a certificate. Our approach with 4-(Trifluoromethylthio)Phenylacetonitrile starts with carefully sourced raw materials. Every drum we ship reflects in-house standards developed through meticulous experimentation and customer feedback loops, not just literature targets or routine analyses.

    The product we make usually takes the form of a white to off-white crystalline powder, produced under strictly controlled atmospheric and temperature conditions. By monitoring for side reactions that sometimes introduce unwanted isomers or colored impurities, our QC team can confidently deliver batches that meet the standards of those working on both pilot and full-scale synthesis. In recent years, researchers focusing on the expansion of trifluoromethylthio motifs in life sciences have come back to us, reporting reliable results—yield improvements, easy crystallization, and fewer filtration setbacks. These hands-on stories shape our daily work more than any marketing claim ever could.

    Manufacturing Experience Shapes Performance Standards

    Direct feedback from finished product users has pushed us to refine the key parameters of 4-(Trifluoromethylthio)Phenylacetonitrile. One customer developing new agrochemical candidates in Europe pointed out that off-spec batches increased column loading times. Our response wasn’t just to tighten spec sheets. Production lines were fine-tuned with updated purification steps and a focus on work-up optimizations that scale from a few hundred grams to metric tons. These adjustments, combined with a program of regular analytical calibration, minimize chances of sample variability—critical for reproducible results in research and scale-up.

    Such details highlight the difference between a batch from an attentive producer and product found through traders with unknown or fluctuating sources. While outsourced reps might display similar HPLC or NMR results on paper, subtle differences—trace inorganic ions, unreacted starting materials, differences in moisture—affect how chemists experience the product in actual experiments. We make it standard practice to discuss these operational concerns directly with our technical partners, which keeps the conversation rooted in real-world issues.

    Application: The Takeaways from Real Bench Work

    As an intermediate, 4-(Trifluoromethylthio)Phenylacetonitrile is rarely the end of the story. Over seventy-five percent of the requests we receive come from companies synthesizing advanced pharmaceuticals or crop protection agents. The trifluoromethylthio group continues to intrigue both academic and industrial medicinal chemists, thanks to the strong electron-withdrawing nature and unique lipo-hydrophilic balance it brings to molecular scaffolds. We see ongoing projects in peptide–drug conjugates and kinase inhibitor development, where the cyanomethyl handle serves as a launchpad for further derivatization. Having supplied batches used in both gram-scale SAR studies and scale-up campaigns, we collect input on reactivity and storage challenges straight from the lab floor.

    One group working on anti-infectives shared that, compared to other CF3-tagged aromatic nitriles, our product maintained its color and melting point over several months in ambient storage. Another user found that, when running methoxylation and aminomethylation reactions, their observed conversions tracked consistently within a few percent batch-to-batch. Our R&D chemists regularly verify stability by forced degradation and long-term aging studies, so our recommendations stay grounded rather than speculative.

    Comparing with Other Phenylacetonitrile Derivatives

    Chemists evaluating structure–activity relationships often switch substituents on their phenylacetonitrile ring, pairing different groups to tune properties such as basicity, oxidation sensitivity, or solubility. Products like 4-(Trifluoromethyl)Phenylacetonitrile or 4-Chlorophenylacetonitrile offer certain performance benchmarks. Their most critical distinction comes from the effect on downstream functionalization and final product physical properties.

    By introducing a trifluoromethylthio group at the para position, the compound shifts both electronic and lipophilic parameters. In stacked library synthesis, chemists working with our batches observed the influence on logP and metabolic profile. Experiments run side-by-side with other nitriles under mild reduction conditions revealed a lower tendency to form undesired reduction by-products and a clean separation after extraction. These operational facts, not just calculated values, give insight into why the material delivers confidence to those running demanding multi-step syntheses.

    Learning from User Feedback

    Exchanges with large and small companies show us where improvements still matter. Occasionally, a customer will note slight clumping after prolonged storage or re-opening of opened packages. In response, we modified our packaging technique by reducing headspace oxygen and optimizing the moisture barrier, favoring both usability and longer shelf life. Survey responses from formulation developers indicated a preference for easy mass transfer and a clean melt without residue. The small changes we make, from sieving to drying and anti-static handling, directly target their daily experience in the pilot plant or kilo lab.

    This steady flow of hands-on information guides both everyday production choices and longer-term process development. Instead of just providing a certificate, we emphasize a culture of honest exchange—what works and what could work better—making our batches more predictable and less of a risk. As we keep receiving new application data from outside partners, the learning cycle stays active. It’s often these quiet exchanges over technical calls and emails, not sheet specs, that shape process improvements and new standards.

    Specifying and Handling: Practical Advice

    Real experience beats theory in planning smooth logistics. Some labs ask about optimal storage or solubility practices in early procurement emails. We keep samples both in ambient conditions and under desiccated storage, then monitor physical changes—yields, color, crystallinity, and any odor evolution. Our veteran handlers have seen that, in practice, the acetonitrile group survives short exposures to open air but benefits from tight vapor-sealing for extended periods. For longer-term or higher-purity applications, refrigeration extends stability so that downstream results remain consistent even after months.

    Shipping dozens of tons each year, we have seen nearly all the quirks: crystalline caking during seasonal climate swings; minor color change during trans-oceanic shipping; requests for ultra-fine powders for fast dissolution in high-throughput screens. Engineers and warehouse staff weigh in, sharing tips about minimizing static build-up or selecting liner materials that prevent reactant ingress. Simple changes—thinner liners for deep drums, sealed double-bagging for smaller units—make a difference at the user’s site, and fine details like anti-static powder handling stop little headaches from interfering with big results.

    Looking Beyond Single Products

    Talking about 4-(Trifluoromethylthio)Phenylacetonitrile often leads to larger conversations with users looking to tweak molecular core structures. Some ask whether we can supply custom analogues with different ring substitution patterns or more reactive functional handles. R&D groups in Japan and North America want advice on pilot-scale custom syntheses or stability predictions. By operating our own labs and pilot lines, we show the flexibility and troubleshooting that come from years of practical experience. Issues that can stall a project—unexpected cross-contamination, batch-to-batch color variance, trouble tracking yields—often link back to hands-on production work, not abstract supply chain optimization.

    Colleagues from downstream industries, like advanced coatings or photoinitiator research, regularly share that their best results follow from direct communication with people who handle the chemistry, not intermediaries. We’re happy to host plant visits, compare analytical spectra with our partners, and dive into questions about side products or impurity profiles, so that the final application is as robust as possible. By rooting our process in this back-and-forth, we keep learning and steadily push our limits, improving quality in response to real-world needs rather than the promise of one-off sales.

    Quality Control—from Experience, Not Just Instruments

    Every operator on our line knows that a stable, repeatable output depends on mastering the details. Advanced analytical equipment gives numbers, but it’s the operator’s eye and experience that catch subtle changes long before machines do. Years spent refining crystallization and drying steps have taught us to recognize early signs of unwanted phase transitions, contamination, or oxidation. By catching these small shifts, we prevent downstream headaches for the user: solution haze, column blockage, decreased yield, or inconsistent biological data.

    Our QC workflow reflects this: in-line monitoring, non-stop checks on color consistency, and staff empowered to halt a process if something looks off. Beyond pure numbers, we look out for lot-to-lot comparability and watch for discrepancies that materialize only during scale-up. This ongoing vigilance builds trust with returning customers and motivates new conversations about future compound modifications. Decades of experience across teams have transformed everyday best practices into a living archive, regularly referenced and refined.

    Shipping with Reliability: Manufacturer’s Perspective

    Every packed drum or pail is more than just a unit shipped—we know it is part of someone else’s project risk. On-time shipments come from a clear workflow of planning, manufacturing, sampling, secondary packaging, and customs documentation. Delays, big or small, happen less when the supplier controls these steps directly. Our blend of international logicistics experience and local site managers helps us spot and resolve holdups, customs questions, or temperature excursions in transit. This approach grows from supporting thousands of shipments and collecting feedback from across the supply chain.

    We consistently return to direct engagement as our main strength. Many clients prefer to talk production capability, actual processing experience, or what has gone wrong in the past rather than abstract service claims. We respond openly—sharing both best practices and lessons learned from previous missteps—to support ongoing risk reduction. A clear line of sight from product synthesis to delivery reassures those working with precious R&D timelines or regulator-driven deadlines.

    Industry Changes and Shared Growth

    Over years in the fine chemical industry, the balance between compliance, innovation, and reliability has shifted constantly. We keep pace with updated global regulations, safety protocols, and process optimizations not because of external pressure, but because users either gain confidence—or lose valuable time—when it comes to scale-up. Every interaction with forward-thinking researchers, diligent process engineers, or careful supply managers feeds back into the next production cycle. The relationship turns into a partnership where information runs both directions: we learn just as much from their operational signals as they do from our direct manufacturing.

    The industrial context for 4-(Trifluoromethylthio)Phenylacetonitrile is evolving with the demands of both pharmaceutical and agrochemical innovation. Researchers are moving faster and working with smaller, more targeted batches. The need for consistent, high-purity intermediates has never been more obvious. We focus on actual results in synthetic transformations, feedback on storage properties, and first-hand use in catalysis or functionalization. These priorities reshape how we produce, test, and package each run. In doing so, we reflect the ways the industry adapts to shifting research goals and delivery requirements.

    Continuous Improvement Rooted in Manufacturing Knowledge

    Our history with aromatic acetonitrile derivatives guides every change we make in process and product. Sometimes this means incremental shifts, as with purification efficiency or reduced energy use. At other times, it shapes open-ended conversations with chemists at the cutting edge, who want novel building blocks for next-generation applications. Over time, the distinction between manufacturer and end user blurs, replaced by a chain of shared experience. We see it not as a transaction, but as a long-term collaboration through information, practical know-how, and mutual problem-solving.

    From the plant floor to the laboratory, people drive the process—whether by managing line operation, running QC samples, handling logistics, or sharing feedback from the final application. Chemical manufacturing lives in the countless small decisions and direct communications that shape each order, not in abstract guarantees. Steady progress comes from asking what the user needs, rather than what a generic specification allows. We take pride in being part of this ongoing dialogue, as it is this partnership that keeps fine chemical supply relevant, responsive, and sustainable for the future.