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HS Code |
949255 |
| Product Name | 4-(Trifluoromethylthio)Benzonitrile |
| Cas Number | 152707-96-5 |
| Molecular Formula | C8H4F3NS |
| Molecular Weight | 203.18 g/mol |
| Appearance | White to off-white crystalline powder |
| Melting Point | 53-57°C |
| Boiling Point | 234°C at 760 mmHg |
| Density | 1.38 g/cm³ |
| Solubility | Slightly soluble in water; soluble in common organic solvents |
| Smiles | C1=CC(=CC=C1C#N)SC(F)(F)F |
| Inchi | InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H |
| Purity | Typically ≥98% (varies by supplier) |
| Refractive Index | 1.536 (predicted) |
| Storage Conditions | Store at room temperature, in a tightly closed container |
As an accredited 4-(Trifluoromethylthio)Benzonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle containing 25 grams of 4-(Trifluoromethylthio)Benzonitrile, tightly sealed with a screw cap, labeled for laboratory use. |
| Shipping | 4-(Trifluoromethylthio)Benzonitrile is typically shipped in sealed, chemical-resistant containers to prevent leakage and contamination. It is transported according to hazardous material regulations, with proper labeling and documentation. The package should be kept away from heat and incompatible substances, and delivered via certified couriers specializing in chemical shipments. |
| Storage | 4-(Trifluoromethylthio)benzonitrile should be stored in a tightly sealed container in a cool, dry, and well-ventilated area, away from direct sunlight and sources of ignition. Keep it separate from acids, bases, and oxidizing agents. Use secondary containment in case of leaks or spills. Ensure storage is compliant with local chemical safety regulations, and label containers clearly. |
Applications of 4-(Trifluoromethylthio)Benzonitrile in Industrial ManufacturingAs an established chemical raw material manufacturer, we supply 4-(Trifluoromethylthio)Benzonitrile to downstream industrial partners who require high-quality intermediates for their specialty synthesis. Below we detail proven application scenarios, including relevant compliance standards, formulation guidelines, production flow integration points, and end-product types, based on direct manufacturing and customer technical support experience. 1. Pharmaceutical Intermediate for Agrochemical SynthesisThis compound serves as a key building block in the multi-step synthesis of complex agrochemical active ingredients, enabling introduction of the trifluoromethylthio moiety into target molecules. Its integration supports processes that require both electron-withdrawing nitrile groups and high chemical stability during downstream reactions, forming part of the core structure in select herbicide and fungicide development pipelines. Industry compliance standards
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2. Electronic Chemicals: Material for Liquid Crystal Displays (LCD)This molecule is adopted as a precursor during the functionalization of specialty aromatic compounds for high-performance liquid crystal formulations. Its high fluorine content and unique electronic properties provide anisotropic characteristics essential for fine-tuning birefringence, response speed, and thermal stability in advanced LCD panel manufacturing. Industry compliance standards
Typical usage ratio
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3. Fine Chemical Intermediate for Agrochemical Research & DevelopmentThe compound functions as a specialty intermediate for laboratories and pilot plants developing new molecules targeting crop protection with enhanced environmental profiles. Researchers favor it for its reactivity profile when constructing screening libraries of heteroaromatic or cyano-substituted analogs aimed at improving biological selectivity and degradation properties in field applications. Industry compliance standards
Typical usage ratio
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4. Fluorinated Aromatics in Specialty Polymer SynthesisThis compound acts as a niche monomer or reactive intermediate in the production of fluorinated specialty polymers. It introduces significant hydrophobicity and chemical resistance into polymer backbones, meeting the needs of coatings, surface modifiers, and advanced membrane materials used in demanding chemical and electronic environments. Industry compliance standards
Typical usage ratio
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5. Intermediate for Active Pharmaceutical Ingredient (API) SynthesisIn API development, this molecule is selected as a core structural fragment for synthesis of investigational drug candidates. Its strong electron-withdrawing groups aid medicinal chemists in modulating compound pKa, metabolic stability, and binding affinity, yielding novel chemotypes evaluated in preclinical research. Industry compliance standards
Typical usage ratio
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Every time we run a batch of 4-(Trifluoromethylthio)benzonitrile, the plant shifts into a different gear. This isn’t just another milestone on a flowchart; it’s a product that bridges performance materials and advanced chemistries. Our focus isn’t only on consistency — though, after years of production scale-up and feedback from our downstream partners, we recognize that even a slight variation in purity or crystalline form can trip up an entire synthesis pipeline.
Bringing this compound to market draws on the full scope of our lab and production experience. Our process routes have evolved — we stubbornly pursued a cleaner substitution to minimize lingering impurities, leaning into process analytical technology to follow reaction endpoints in real time. Unoptimized steps meant nagging problems: particulates where there shouldn’t have been, off-odors, or runoff yielding a less controlled product. We studied solubility, particle size, drying, and filtration, all with the realization that one misstep would sully the end user's confidence and our name. Each modification aimed to give users a clear material, free of background noise from uninvited byproducts.
As hands-on manufacturers, we remember the headaches that circled around handling and storage in the early days, before fine-tuning the right containers and inert gas purges. We monitored stability in real-world settings, checking for color shifts and moisture uptake. Our own teams used the material internally, so we felt the push for both reproducibility and ease of handling — bags that didn’t seal perfectly or strong odors could cause real workflow interruptions. The importance of maintaining a premium product, both for our own syntheses and for our customers, has always shaped our on-the-ground choices.
Ask any process chemist or scale-up manager: purity means more than a number on a COA. If a batch edges over 99% but carries subtle residuals, the consequences ripple out. Final products can take on unwanted hues, catalysts degrade, and yields stall in unexpected places. For customers using 4-(Trifluoromethylthio)benzonitrile as a key intermediate, especially in high-precision applications, a minor contaminant may drive scrap rates or prompt unwanted side reactions.
We measure purity by GC and confirm structure by NMR. Experience has taught us that don’t tell the full story on their own. We examine color, odor, and melting point to ensure batch-to-batch reproducibility. Even after reaching statistical process control, we run spot-checks across seasons to catch those shifts that only emerge long-term: a hint of yellow in one batch, a subtle dampness under humid summer air. These are the aspects that real-world customers encounter — and that, as direct manufacturers, we address with tweaks, not empty reassurances.
Particle size plays its own role. Some customers request a fine powder, others want to avoid static mess or clumping. In the early years, feedback showed that a slightly coarser fraction flowed better, reducing spillage on automated lines. We modified milling protocols, tracked agglomeration, and measured bulk density so packaging could withstand transit across regions and climates. This development process required close conversations between the production floor, logistics teams, and application chemists. The result — a physical form tailored not for marketing brochures, but for real efficiency.
Chemists want building blocks that minimize unknowns in downstream reactions. 4-(Trifluoromethylthio)benzonitrile does that job in several specialty markets. Fluorinated aromatics, by their nature, travel into high-performance polymers, crop protection agents, and advanced pharmaceuticals. In active pharmaceutical ingredients, a single stray impurity, or unforeseen reactivity from the benzonitrile, can derail months of synthesis effort. Consistency lets R&D teams take calculated risks with their own processing, secure in the knowledge that intermediates won’t introduce surprises.
We’ve seen how even subtle changes in physicochemical properties can matter. Surface chemistry, residual moisture, even slight yellowing — those details all affect reactivity, especially when the compound gets used as a coupling partner under strong conditions like Suzuki or Buchwald aminations. Over the years, we’ve tailored our QA to anticipate these realities, rather than chasing arbitrary metrics. Real understanding comes from collaborating with customers whose syntheses routinely push the limits of what these intermediates can do.
Environmental performance matters, too. Down-the-line partners care about trace elements that might impact effluent profiles or regulatory filings. Our in-house lab teams test each lot for both process residues and catalyst carryover. Add to this the demand for documentation — from REACH compliance to GHS safety data — and it becomes clear that the right manufacturing setup is more than tubes and reactors. It’s the constant attention to detail, ensuring that every outgoing drum is reliable, shipment after shipment.
Some product lines in the nitroaromatic family look interchangeable on paper, but our experience says otherwise. Compared to other benzonitriles, substituting the para position with trifluoromethylthio confers more than just electronic effects. The S–CF3 group tilts the compound's reactivity, changing both its lipophilicity and how it interacts with nucleophiles or bases.
We’ve fielded calls where a synthetic chemist tried to swap in a methylthio or a trifluoromethyl analog — only to run into lower yields, solubility headaches, or unexpected kinase activity in target screening. Pharmaceutical and agrochemical researchers in particular come back to the unique features conferred by the trifluoromethylthio group. It’s not a replacement for a methyl, nor a simple extension of trifluoromethyl: it brings a blend of electron-withdrawing and lipophilic properties.
Our own development teams learned early that minor structure shifts mean more than theoretical reactivity changes. They alter how the whole supply chain operates. Different analogs sometimes posed storage or shipping issues — increased volatility or odor, for example — but 4-(Trifluoromethylthio)benzonitrile showed both manageable stability and ease in handling. Other similar compounds required cold-chain logistics or added stabilizers, interrupting downstream planning. In choosing this product, formulators cut down on workarounds often needed for less stable or less compatible aromatics.
As manufacturers, we regularly support inquiry streams from pharmaceutical labs, agrochemical developers, and specialty polymer firms. Synthetic chemists often advance projects where the nitrile group opens a direct pathway to amines, acids, or more advanced heterocycles. Our team has supplied material for research on kinase inhibitors, where the S–CF3 group can tweak binding properties for greater selectivity.
In the agrochemicals field, 4-(Trifluoromethylthio)benzonitrile has helped researchers form active ingredients that perform well in field trials, often thanks to the metabolic stability conferred by the fluorinated sulfur group. Our technical support specialists trade information with application labs to optimize reaction sequences, sometimes recommending preconditioning steps or drying agents based on years of troubleshooting real-world bottlenecks.
Polymer applications arise in the search for higher-performance materials, especially where weather, heat, or solvent exposure is tough on conventional aromatics. Companies developing coatings or sealants find that this product’s unique structure delivers a different balance of chemical resistance and processability. The fluoro-sulfur group resists hydrolysis better than some other substituents, so finished materials last longer in tough environments.
With research-scale batches, quirks sometimes slip by. Those issues become showstoppers once teams need several hundred kilograms. Our batch records show that scaling 4-(Trifluoromethylthio)benzonitrile posed unique challenges: reproducibility of sulfur-based substitutions and effect of solvent choices on downstream purity.
Over several campaigns, we learned to control not just the core reaction but each subsequent work-up and crystallization. The challenge came down to fouling, residual sulfur odors, and occasional discoloration. Stirring speed, base strength, and fine-tuning extraction phases were as important as final drying or sieving. We iteratively improved our protocols to streamline those steps, always using in-process QC to avoid late-stage surprises.
Waste disposal and emissions control received as much attention as the product itself. Managing byproducts with environmental compliance in mind meant real investment in scrubbers and water treatment. Spent sulfur compounds needed careful handing, pushing us toward greener reagents and improved solvent recycling. Each time we change a reagent or alter a purification, we re-qualify our process with a real eye to reproducibility and downstream traceability.
End-users reach out to our plant floor engineers with practical questions: should they dry the product further, or is the synthetic pathway robust against minor traces of water? Can they dissolve the material cleanly in their existing solvents, or is a co-solvent mix more efficient? These questions matter, and we field them because our teams use the material just as our customers do.
Long-term users sometimes raise ideas for improving packing or even aspirational shifts in physical form — maybe a pelletized version for automated weighers, or data on high-temperature trace stability in advanced reactors. We pull those suggestions into our yearly process improvements, often trialing short pilot runs to see how a tweak plays out at scale. Not every idea lands, but each one stems from lived experience, not abstract requirements from afar.
Documentation support matters. Many partners need detailed impurity profiles for regulatory filings or need rapid turnaround on custom analytical questions. Our QA desks field requests for batch-specific certificates, trace-level metal analysis, and clear breakdowns of minor component histories. Years of building those relationships, and understanding that audits don’t wait for convenient timing, keeps us nimble and direct in our response.
Shipping hazardous or sensitive chemicals has gotten more involved, especially for international customers. Packing, labeling, and paperwork need to anticipate customs, weather, and the realities of remote sites. Over the years, we worked out supply routes where temperature shifts, handling time, and transit vibration no longer jeopardize product integrity. For us, it goes beyond simple box-ticking; it’s about preventing setbacks like caked powder, leaking drums, or improperly labeled goods.
We focus on robust packaging, inert lining, and regular batch rotation so that no customer receives a shipment that’s past its prime. Updated tracking systems give our clients and our dispatch managers constant visibility. This transparency minimizes unforeseen project delays — every day counts on the development clock, and waiting for a reshipment or a paperwork fix is unacceptable in high-stakes R&D or plant-scale campaigns.
Challenging routes, especially in extreme climates, led our logistics team to modify container specs. Our compounds travel from monsoon zones to arid deserts, and each locale brings its own hurdles. We’ve used feedback from late-stage users to reinforce our supply chain, sometimes even staging materials closer to heavy-use customers to meet surge demands without quality compromise.
Trust accrues from years of open transparency and predictable outcomes. Our company’s front-line experience makes us keenly aware of the expectations and realities faced by researchers and plant managers alike. The challenges we’ve overcome — from cleaner production to tailored logistics — grew out of direct engagement with the material and an insistence on improving real outcomes.
Supporting cutting-edge science and strict compliance standards takes more than familiarity with chemical structure. It calls for a relentless drive toward reliability, safety, and clear communication. Our daily commitment has meant substantial investment in analytical equipment, waste treatment facilities, and global regulatory support. We treat every batch as a direct extension of our commitment to the chemists, engineers, and application teams counting on clean, stable, and precisely characterized 4-(Trifluoromethylthio)benzonitrile.
Our doors stay open to practical questions, collaborative process improvement, or tackling unique application troubleshooting. We believe in the compound because we see its performance daily — in our own syntheses, in the hands of our partners, and in the final goods that make a difference across pharmaceuticals, agrochemicals, and advanced materials.