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HS Code |
998926 |
| Product Name | 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate |
| Cas Number | 118622-01-8 |
| Molecular Formula | C8H3ClF3NS |
| Molecular Weight | 237.63 |
| Appearance | Yellow to brown liquid |
| Purity | Typically >= 97% |
| Melting Point | N/A (liquid at room temperature) |
| Boiling Point | 93-95°C at 3 mmHg |
| Density | 1.47 g/mL at 25°C |
| Solubility | Insoluble in water, soluble in organic solvents |
| Flash Point | 112°C |
| Smiles | C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl |
| Storage Conditions | Store below 25°C, keep container tightly closed |
As an accredited 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | The 25g chemical is packaged in a sealed amber glass bottle, labeled with hazard warnings, compound name, purity, and supplier details. |
| Shipping | **Shipping Description:** 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate should be shipped in tightly sealed containers, protected from moisture and light. It is classified as a hazardous material; handle with appropriate chemical safety precautions. Packaging must comply with relevant regulations (e.g., DOT, IATA). Transport with compatible materials; avoid exposure to extreme temperatures, ignition sources, and incompatible substances. |
| Storage | Store 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate in a tightly sealed container, under an inert atmosphere if possible, in a cool, dry, and well-ventilated area away from light and moisture. Keep away from incompatible substances such as strong acids, bases, and oxidizers. Properly label the storage container and limit access to authorized personnel. Always observe recommended personal protective measures when handling. |
Applications of 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate in Industrial ManufacturingAs an established producer of 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate, we support multiple advanced manufacturing sectors where precision and consistency in intermediate synthesis drive competitive downstream performance. Below we outline key industrial application scenarios where this specialty isothiocyanate directly integrates into high-value formulations. 1. Pharmaceutical Active Pharmaceutical Ingredient (API) IntermediatesLeading pharmaceutical companies specify our isothiocyanate for advanced intermediate synthesis in anti-infective and oncological small molecule APIs. The unique electron-withdrawing trifluoromethyl and chloro substituents enable high-yield nucleophilic substitution and coupling reactions, supporting targeted structure-activity relationships. Formulators select usage ratios according to reaction kinetics and desired impurity profiles. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
2. Agrochemical Active Ingredient SynthesisProducers of advanced crop protection compounds select this isothiocyanate to introduce the 4-chloro-3-trifluoromethylphenyl group into herbicide and fungicide structures. Its strong electron-withdrawing groups facilitate rapid nucleophilic substitution while maintaining high selectivity during scale manufacturing under standard process conditions. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
3. Specialty Dye and Pigment PrecursorsOur customers in the advanced dye and pigment sector employ this compound to generate halogenated and fluorinated aromatic isothiocyanate intermediates for textile, plastic, and ink coloration systems. The electron-withdrawing character enables unique chromophore structures through aromatic coupling and subsequent derivatizations, providing color fastness and chemical resistance where required by end-use standards. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
4. High-Performance Polymer Additives and ModifiersIn specialty polymer manufacturing, this material acts as an intermediate for sulfonamide, urea, or carbamothioate functionalization, introducing halogenated aromatic structure into engineered resins. The resulting polymers demonstrate elevated thermal and chemical stability, meeting application demands in automotive components, electronics, and technical coatings. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
5. Advanced Liquid Crystal Material PreparationManufacturers of high-resolution display materials and advanced liquid crystal products utilize our isothiocyanate to introduce rigid fluorinated aromatic motifs into mesogenic intermediates. This tuning of molecular alignment improves phase behavior and dielectric properties essential for display and optical performance in modern electronics. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
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4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate carries a name that may seem daunting at first glance, but this chemical has found a robust place within the world of organic synthesis. In our plant, batches of this compound take shape every week in reactors designed to ensure the highest levels of purity achievable. As direct manufacturers of this specialty isothiocyanate, we see firsthand how it bridges gaps between raw chemical potential and practical, real-world use in advanced industries. This compound, also known by its CAS number 23128-41-6, offers a blend of reactivity and selectivity that makes it a go-to choice for chemists looking to build more complex molecules with reliable results.
Our team has worked closely with process chemists and formulators who need a dependable isothiocyanate to drive forward their research projects and scalable production efforts. Their feedback—birthing many incremental advances as we improved our own procedures—forms the backbone of our current product quality. We go beyond just batch testing; sample lots routinely run through detailed trace impurity reviews, NMR, and IR to meet strict standards for trace reactivity.
The molecule stands out for more than its mouthful of a name. By introducing a chloro group at the para position and a trifluoromethyl group ortho to the isothiocyanate, the aromatic ring takes on a distinctive electronic profile. The electron-withdrawing groups tune its reactivity, which is a trait our team capitalizes on during scale-up. In the hands of researchers and developers, this compound consistently brings out sharp selectivity in forming new bonds, especially when making pharmaceutical intermediates, crop protection agents, or specialty polymers.
Years of manufacturing and feedback confirm what looks good on paper: the behavior of 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate in condensation, cyclization, and electrophilic addition reactions sets it apart from isothiocyanates with less steric and electronic control. Our plant operators see reagents fly off the shelves during the development of sulfur-containing rings and amine substitution products. Here, the location of chloro and trifluoromethyl substituents isn’t just for academic interest—it gives real predictability in yield and byproduct reduction.
Producing batches that perform in high-stakes labs and industrial settings starts with tight process control. Unlike purchasing from uncertain sources, using factory-verified material protects researchers from unnecessary trial and error. Reactors on our floor run standardized procedures, supported by on-site analytical capabilities and decades of operator experience. Every time a batch starts, our technicians are keenly aware of just how much downstream work depends on reliable material. There’s a lived reality behind every spec sheet we print: a failed reaction in a customer’s pipeline reflects back to us, so each flask gets counted and each drum labeled with the quality we demand in our own projects.
We’ve also noticed that off-spec variants often claim to be genuine, but differences in starting phenyl isothiocyanates or work-up methods can leave trace halides or low-level organofluorine artifacts that spoil sensitive reactions. We have lab stories to tell about the failed runs we debugged due to “bargain” isothiocyanates that left product mixtures impossible to purify at kilo scale. That drives us to keep tightening our control over input raw materials and strengthening our finished product screening.
Year after year, chemists return to 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate when they need a strong reagent for transformations that regular isothiocyanates can’t reliably drive. The presence of both the chloro and trifluoromethyl actions in the same molecule delivers a controlled reactivity that benefits both exploratory synthesis and repeat manufacturing.
Drug discovery teams, especially those working in aromatic thiourea analog synthesis, have reported to us higher yields and cleaner separations compared to less sophisticated aryl isothiocyanates. The extra electron-withdrawing power leads to intermediates that react briskly with amines, nucleophilic carbons, and other heterocycles. This effect shows up in the bench reports when colleagues scale up from gram trials to pilot reactors. Less crude product, fewer purification headaches. It sounds obvious until you’ve lost days dealing with lower-purity lots from spot-purchase channels.
Another key advantage: the molecule’s aromatic backbone with its fine-tuned substituent pattern resists unwanted side reactions, especially during selectivity-sensitive cyclizations and substitutions. Our technical group has worked alongside agrochemical developers, building newer classes of pesticides and herbicides, reporting reduced crop assay complexity downstream when our material replaced less precise alternatives.
Many labs come to us after tripping over the limitations of simpler isothiocyanates like phenyl isothiocyanate or its monohalo derivatives. The issue, often overlooked, lies in insufficient reactivity control. Lacking both the 4-chloro and 3-trifluoromethyl groups, those variants tend to encourage side reactions, making purification more frustrating and lowering final yields. By contrast, our molecule brings added activation at key ring positions, providing a useful nudge in difficult bond formations—especially in fluorinated target synthesis.
We see the difference in day-to-day manufacturing. Take for comparison the difference between 4-Chlorophenyl isothiocyanate and our compound. The latter brings a powerfully tuned leaving group character. Reactions run cooler, with a tighter window for byproducts, because the electron-withdrawing effect of the CF3 group wrangles even sluggish nucleophiles. In a commercial run of a fluorinated herbicide precursor, a major client reported cutting their column chromatography steps nearly in half, citing less co-elution and easier recovery, which matched what we saw in scale-up trials.
On the other end, basic isothiocyanates like methyl or ethyl derivatives simply fail to match the aromatic system’s stability under challenging conditions. Several pharma teams, after experiencing batch-to-batch variance from these aliphatic sources, brought their demand for tighter process material to us, relying on our experience with aromatic rings. We prepared multiple kilo-lots in successive months, hammering out a reproducibility that carried new drug intermediates across the finish line into preclinical programs.
Our technical staff follows one core model of 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate, standardized at purity levels exceeding 98.0% as measured by combined HPLC and NMR. Finished material comes in off-white to faintly yellow solid form, with melting points in the anticipated range, and every lot tested for residual halides and low-ppm water content. In-house packing facilities dispatch it under dry, inert atmosphere into sealed barrier bags or HDPE drums, depending on order size. Every drum is traceable, with certificate data linking directly back to the plant batch card and analytic summary.
Unlike resellers who provide only terse analysis sheets, our manufacturing process keeps a full analytic record for at least five years. Project managers can request run-by-run inspection data, method details, and even come for audits if large volumes or custom modifications are necessary. When a new request lands—like a lower impurities threshold or a slightly different crystalline form—our technical operations folks work directly with the customer lab and adjust process parameters after test runs, feeding results back before full switch-over.
From where we stand, 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate sees its heaviest action in areas demanding both high selectivity and yield protection. Pharmaceutical process chemists often use it as a building block when developing novel antihypertensive or anti-infective compounds, with process validation trials run in our own labs to demonstrate scale transfer. Agrochemical innovators look for the same molecular features, chasing activities patterns in herbicide or fungicide lead compounds where halogen and trifluoromethyl modifications open new structure-activity relationships.
We’ve seen a growing interest, too, from specialty coatings and polymer research. Teams working on high-performance materials for electronics and corrosion protection bring us requests for kilo-lots for pilot programs, leveraging the CF3 moiety to impart unique physical properties. In more modern synthetic pathways, chemists create complex heterocyclic rings by introducing the isothiocyanate moiety followed by cyclization steps. The consistent reactivity profile of our material means fewer failed batches and less troubleshooting on pilot lines.
Behind every story of successful scale-up sits the reality of hands-on handling. Our operators handle this compound using closed systems and low-temperature procedures to keep volatility and reactivity in line. Being directly involved in the manufacturing, we know how crucial atmosphere control, moisture elimination, and correct order of reagent addition are in real process environments. Spills and storage problems don’t just turn up in documentation—they become costly downtime and safety drills, so we continually sharpen our training and invest in better PPE, improved ventilation, and closed-transfer equipment.
We openly share what works: keep the material cool, exclude air and water, and plan for staged addition if integrating into complex synthesis. From initial receipt all the way to waste management, we recommend clients review their SOPs to match best practice, based on both compliance and lived experience.
As originators, we’ve listened to stories from teams that experienced headaches buying re-packed or relabeled intermediates. These shortcuts may look attractive on a spreadsheet but, in the lab, hidden problems surface quickly. Many commercial failures tie directly to supply chain opacity, with trace contamination, inconsistent particle size, or outright misidentification of material. In our own operation, we keep clear links between what leaves the production floor and what shows up for end use, catching lots that fail critical specs before they ever leave the door.
Direct sourcing lets research and QA staff interact with our technical group, shortening troubleshooting cycles. Custom requirements—be it low residual moisture, high-resolution packaging, or special shipping constraints—pass directly to teams with the authority to change production routines. In pharmaceutical or regulated environments, backtracking a result to a specific lot trace point can make the difference between a project delay and keeping timelines intact.
Our approach to supporting clients rests not only on analytics but also on transparency about production batch lineage. Auditors from several global pharma firms have visited our site, reviewed process documentation, and followed a sample's journey from raw ingredient to finished product through every production step. Questions on equipment cleaning, operator training, or change control find real answers on our shop floor.
Regulatory changes or new compliance mandates do not slow production because our workflow already maintains full trace catalogs—and our operators log every step by hand as well as digitally. We see that this traceability saves both time and reputation for every partner relying on our shipments for clinical trial supply, product filings, or batch scale production.
Our journey with this molecule hasn’t always been smooth sailing. Early on, handling of sulfur intermediates and chlorinated solvents flagged up safety and environmental review notes. We responded by introducing solvent recovery, secondary containment, and closed filtrations long before they became standard. Each plant modification followed a real-world event, not just compliance checkboxes. In-house waste neutralization cut disposal volumes by half, and new condensation protocols shrank energy use per batch.
Over the years, as demand for environmentally responsible operations grew, we brought in independent auditors and rolled out training for every new worker on site. Our goal always matches real-world feedback: produce to spec, improve safety, and reduce impact on the people making and using the chemical. To this day, each improvement, often sparked by a suggestion from an operator or safety officer, gets tested on a limited scale before rolling out to the main process.
We watch industry trends closely. Novelty doesn’t just come from new molecules, but from new ways to build known scaffolds. Over the last decade, demand for fluorinated isothiocyanates in custom syntheses and new drug programs rose steadily. Patent filings and academic literature cite our compound for both selectivity and reduced byproduct formation across a surprising range of chemical frameworks.
We stay ready to adapt our production lines. Clients frequently ask for bulk lots, special forms, or extended impurity documentation as projects evolve from discovery into development and, for some, production at industrial scale. Our on-site scientists regularly collaborate with process development teams to help transfer bench methods to the pilot plant with as few hiccups as possible. Bottlenecks give way when communication lines stay open between the manufacturing floor and the lab bench.
Unlike anonymous third-party vendors, we keep technical support within arm’s reach of those who know the batch—because they made it. Project queries, troubleshooting, and new modification requests go directly to the chemists and engineers handling the real process. We believe no answer should hide behind a generic FAQ or an overseas call service. With every shipment, we want customers to know both the material and the people standing behind it.
As the makers of 4-Chloro-3-(Trifluoromethyl)Phenyl Isothiocyanate, our job never stays finished. The best ideas arrive when a process chemist calls about a stalled reaction or a scale-up challenge. We value that input, whether it uncovers a subtle impurity or suggests a more durable packaging method. Each batch aims to stretch a little further, rooted in what teams on both sides of the shipping invoice learn as we build more together.