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HS Code |
447884 |
| Product Name | 4-Chlorobenzyl Isothiocyanate |
| Cas Number | 2719-28-6 |
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 183.66 g/mol |
| Appearance | Colorless to pale yellow liquid |
| Boiling Point | 130-132°C at 15 mmHg |
| Density | 1.22 g/cm³ |
| Refractive Index | n20/D 1.622 |
| Solubility | Insoluble in water, soluble in organic solvents |
| Purity | Typically ≥98% |
| Synonyms | p-Chlorobenzyl isothiocyanate, 1-Isothiocyanato-4-chloromethylbenzene |
As an accredited 4-Chlorobenzyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle, 25 grams, tightly sealed with a screw cap. Label includes chemical name, hazard symbols, and batch information. |
| Shipping | 4-Chlorobenzyl Isothiocyanate should be shipped in tightly sealed containers, protected from light and moisture, and labeled as a hazardous chemical. Transport must comply with relevant regulations for toxic and irritant substances. Handle with appropriate safety precautions and ensure documentation aligns with local and international shipping guidelines for hazardous materials. |
| Storage | 4-Chlorobenzyl Isothiocyanate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area away from heat, sparks, and sources of ignition. Keep away from incompatible substances such as strong oxidizers and acids. Store under inert atmosphere if possible. Ensure proper labeling, and avoid contact with moisture and direct sunlight to maintain stability and safety. |
Applications of 4-Chlorobenzyl Isothiocyanate in Industrial Manufacturing4-Chlorobenzyl Isothiocyanate serves as a specialized intermediate valued in several targeted industrial sectors. Our direct manufacturing ensures traceability and technical consistency for downstream partners with demanding regulatory and process requirements. Below, we outline key application scenarios focusing on formulation, compliance, operational integration, and proven end products. 1. Pharmaceutical Intermediate for Sulfonylurea DerivativesThis compound is integral in synthesizing a select group of active pharmaceutical ingredients in the sulfonylurea family, especially as an isothiocyanate building block. Because regulatory regimes in pharma demand traceable and controlled input materials, its use consistently requires precise documentation and validated processing. Process technologists use it in condensation steps where nucleophilic addition or cyclization precedes downstream purification and crystallization. Industry compliance standards
Typical usage ratio
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2. Agrochemical Synthesis: Herbicide IntermediatesIn agrochemical manufacture, 4-Chlorobenzyl Isothiocyanate acts as a key intermediate for isothiocyanate-based herbicide actives. Its controlled reactivity suits multi-stage synthesis workflows where isothiocyanate groups drive selectivity during heterocycle construction. Formulators must calibrate input levels against impurity carryover and cross-contamination, using dedicated pipelines under ISO-certified conditions. Industry compliance standards
Typical usage ratio
Downstream process integration
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3. Synthesis of Specialty Dyes and Pigment PrecursorsThe isothiocyanate group’s reactivity enables formation of specialized organic chromophores, particularly in the dye sector for technical textiles. Manufacturers require consistent input quality to minimize batch color variability. Operators charge the compound during coupling reactions, with color strength and fastness depending on downstream process fidelity and the precise stage of introduction. Industry compliance standards
Typical usage ratio
Downstream process integration
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4. Polymer Modifier for High-Performance MaterialsChemical engineers use 4-Chlorobenzyl Isothiocyanate in the functionalization of specialty polymers requiring isothiocyanate-derived side chains. Its introduction enhances certain mechanical or barrier properties, which is especially relevant in the automotive and electronics sectors. Recipe balancing considers crosslink density and molecular weight, with dosing determined by end-use performance validation rather than commodity fill rates. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
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Some chemicals always prove their value year after year, not for flash or novelty, but for the way they pull their weight in research and production cycles. 4-Chlorobenzyl isothiocyanate is one of those. From the synthesis tanks in our own facility, it flows out in steady volumes because researchers and formulation teams across the world have learned to count on it. The product's unique structure--with a para-chloro group on the benzyl ring and the functional isothiocyanate at the end--shapes how it behaves compared to other isothiocyanates. Every run starts with precision: careful selection of raw materials, reproducible reaction conditions, and experience that only years of in-house handling deliver.
Nobody using 4-chlorobenzyl isothiocyanate wants surprises. That applies to purity, color, solubility, or reactivity. Over many years, we developed and refined our own techniques--from in-line analytical checks to multi-stage purification--to make sure the material leaving our drums is what end-users actually need. Most batches reach a purity above 99%. Crystalline material arrives without visible clumping and with minimal dusting, in large part because we avoid long storage periods and fill directly from reactor to appropriate packaging.
Clients have shared stories about variable results from off-brand material, where impurities affected downstream reactions or generated unforeseen regulatory attention. Those problems rarely come from big, visible differences, but from trace contaminants and inconsistent batches. That’s part of the reason many clients specify they only want material from our line, since they run analytical checks on every incoming lot and easily trace back deviations.
The structure of 4-chlorobenzyl isothiocyanate—C8H6ClNS—offers distinct chemical reactivity. The para-chloro substituent on the aromatic ring increases both lipophilicity and electronic effects, changing how the isothiocyanate group behaves in synthetic or biologically active frameworks. This difference becomes especially clear if you’ve worked with simple benzyl isothiocyanate or the methyl- or nitro-substituted analogues. In our hands, para-chlorination alters melting and boiling range, increases resistance to some types of oxidation, and shifts the rate at which the N=C=S group reacts in nucleophilic addition reactions or cyclizations.
People who work with this chemical often mention its intense, sometimes biting aroma—a hallmark of the isothiocyanate group, but not as overpowering as in the unsubstituted parent. Handling it at scale demands proper ventilation and PPE, especially during transfer or blending. Over the years, we have optimized protocols to keep airborne exposure below detectable limits, using jacketed vessels and closed transfer systems, knowledge that grew out of years learning what works—sometimes the hard way.
The compound’s demand follows the research curve closely: where work on small-molecule drugs, crop protection, or specialty materials is hot, requests ramp sharply. Medicinal chemistry appreciates its flexibility. The chloro group can act as a synthetic handle, reacting in cross-coupling or nucleophilic aromatic substitution. Conversely, the isothiocyanate enables delivery into peptide, amine, and even thiol-bearing molecules, stapling segments together or contributing biological activity.
In agricultural R&D, teams searching for new fungicide or herbicide actives pick it because the para-chloro makes metabolic breakdown a bit slower—often just enough to register on field trial analytics. The same structural trait sometimes helps expand the persistence window in laboratory tests, something customers have called out in feedback sessions. And while other isothiocyanate products may degrade or volatilize too quickly, this variant resists breakdown and gives researchers a longer window for bio-assay or binding studies.
Polymer researchers have also reached out over the last decade, noticing that the compound’s unique dual reactivity can be harnessed to anchor organic motifs onto backbones or side-chains. The colorless pale-yellow character of our material (which we watch closely to flag oxidation routes) avoids unwanted color in final plastics or coatings. Our custom packing helps here, limiting exposure to light and oxygen until the user is ready.
If you compare 4-chlorobenzyl isothiocyanate to other isothiocyanates, the distinctions aren’t just academic. Benzyl isothiocyanate, for example, remains a basic building block, but its reactivity profile differs and it lacks the electron-withdrawing chloro group’s impact on both chemical and biological activity. For users synthesizing aryl thioureas, dithiocarbamates, or substituted ureas, the para-chlorine shifts nitrogen reactivity, often improving product yields or selectivity.
Occupational hazards also shift with the structure—one reason we invest in better odor capture, spill controls, and staff training. The chloro derivative, while slightly less volatile than unsubstituted isothiocyanate, still demands respect, and our in-house handling practices reflect lessons from years of scaling up.
In the fine details: benzyl isothiocyanate will sometimes give by-products with certain secondary amines due to side reactions on the unsubstituted ring, an effect we have watched decline using 4-chlorobenzyl isothiocyanate under the same test conditions. Analytical reports support the qualitative feedback.
Some customers bring us requests for their own modifications; we track structure-activity relationships, comparing outcomes using our material versus competitors or other substituted analogues. This feedback loop shapes our own production priorities. If the chloro-variant didn’t deliver measurable value in the field or at the bench, returning customers would simply dwindle. That has never happened, and orders have climbed slowly and steadily over the past several years.
Making the compound at commercial scale is a hands-on experience. The main stage involves reacting a 4-chlorobenzyl halide with potassium thiocyanate under heat. Achieving a clean conversion calls for reagent grade starting materials and strict water control. Trace moisture causes hydrolysis, which generates by-products and lowers yield. As the manufacturer, we set up in-process GC and HPLC checkpoints, catching any deviation before downstream concentration or crystallization.
Crystallization profiles matter, too. Small changes in solvent polarity during workup cause dramatic differences in crystal habit and filterability. Over time, we learned which solvent blends give the cleanest flow and the highest active yield, avoiding caking or excessive fines that can gum up automated feeders or dosing hoppers. Each production campaign informs the next—whether on how to minimize worker exposure during filtration, or choosing drum liners that resist absorption and shedding.
Shipping is not just about compliance, but about keeping the material within its spec window for as long as possible. Double-bagging, inert atmospheric fillers, and prompt shipping after synthesis all reduce the odds of product degradation. Once, a shipment delayed for several weeks in summer arrived showing a slight shift in IR profile—after that, we worked with logistics teams to prioritize temperature-controlled transit for more sensitive lots and improved our packaging seal welds.
Having the lab and warehouse under one roof shortens response time. If a customer lab calls with a performance question, a quick sample recheck or blend confirms whether an issue is shipping-related or an artifact of formulation. We find that direct feedback closes the loop; having our lab team talk straight to counterpart chemists on the user’s side saves time and reduces confusion. These contacts often provide insights that software or generic documentation can’t.
Regulatory awareness runs through everything. Years ago, handling standards were less well-defined, but as regulations have grown clearer, so has our response. Material destined for export comes with full traceability from raw input through finished lot, covered by COAs, spectra, and impurity profiles available on request. Knowing that exports move through various quarantine and clearance processes, we document all relevant hazard and storage profiles, not just to tick boxes but because our own staff face the same risks and need the data clear and actionable.
We train all handlers in the properties and first-response protocols. Spills are rare, but we invest in drill refreshers and have adjusted equipment design for easy cleanout; every reactor can be cleaned, inspected, and dried quickly before switching campaigns. Waste streams and air emissions are monitored tightly; nobody wants an isothiocyanate odor drifting off-site or residues making their way into water streams. The equipment design and safety monitoring reflect hard-won lessons more than regulatory obligation.
Confidential product stewardship is a commitment, not a slogan. Years of learning the behavior of this material—under accidental heating, mishandling, or improper blending—help us share practical recommendations with end-users. That means we can often warn about interactions with solvents or other additives that may not be obvious from the literature. In one onsite trial, a client’s process created a new solid-phase adduct, only identified by careful chromatography and review of handling notes from earlier batches. This kind of experience translates directly into improved usage and confidence for the end-user.
Feedback shapes how we produce and package every run. Some customers run medicinal chemistry screens, using 4-chlorobenzyl isothiocyanate to create new lead compounds. They look for consistent reactivity, minimal extraneous peaks in NMR, and colorlessness in DMSO solutions. When clients encounter stubborn spots in TLC or unexplained residues after workup, our technical staff step in to help troubleshoot. In some instances, we traced minor side-products to storage moisture uptake, and since then, offer small-lot, desiccated ampoule fills for users in particularly humid locations.
Agrochemical developers need the same reliability for field templates. One project, aimed at creating a more durable herbicide scaffold, found our material outperformed a local alternative in both field stability and formulation shelf life. Many of these clients work on tight grant-driven deadlines and expect reproducible outcomes. In these situations, the real test is whether the product enables their science without creating more headaches downstream.
Some inquiries come from polymer research or materials science; demand for customized surface-active groups has increased. Users here value the compound’s impact on polymer end-group modification. One collaborator described improved adhesiveness in an experimental coating matrix after switching to our high-purity chloro variant, compared to a methyl-substituted analog. Direct communication and rapid supply response played a role too, with joint review of process impurities and solvent compatibility.
Transparency means more than just COAs; it includes full, open communication about how the compound was made, filtered, and filled. Customers often ask for batch chromatograms and impurity breakdowns before placing full-scale orders, and we welcome the questions. We store data on every run for many years, so tracebacks and certificate reprints are no problem. Some big pharmaceutical developers run full regulatory audits of our process, from raw material control to cleaning logs, and our doors stay open for those checks.
Traceability matters on the regulatory side, but it also helps end-users feel confident making downstream products, especially where products enter clinical or field trials. If a concern comes up, both sides can follow the trail: what went in, how it was made, and what checks it passed. Sometimes customers run their own analytical checks and ask pointed questions. Rather than a problem, we see that as a sign of trust and commitment to getting the chemistry right.
Four-chlorobenzyl isothiocyanate used to cater mainly to a handful of pharmaceutical researchers and specialty chemical developers. That audience has grown broader as demand for new bioactive scaffolds and robust linkers in agrochemical development climbs. New applications occasionally push us to re-examine our production. A recent uptick in demand came from a client searching for safer, less volatile isothiocyanates for a plant-growth regulatory agent. Their feedback led us to optimize fill weights and packaging type for safer field application use, balancing stability with cost targets.
Our technical support team sometimes revisits older literature for improvements. For example, studying archived syntheses reveals ways to shave solvent use or lower by-product formation, not only for environmental compliance but also to reduce overall process costs. We also work proactively with several customers to pilot fresh approaches for process intensification--such as microwave-assisted synthesis or alternative purification methods, whenever those fit market needs.
Product adaptation also includes revisiting safety documentation, not only for regulatory checklists but to ensure all our staff, and the client's team, understand emergency procedures and proper disposal routes. 4-Chlorobenzyl isothiocyanate is not a casual-use commodity; it requires understanding and respect during transport, handling, and reaction. Any gap in training or documentation puts both our reputation and user safety at risk. This is the main reason we invest in ongoing joint training, regular facility audits, and open lessons-learned sessions.
This compound provides clear advantages for scientists and industrial chemists who want more than generic reagent performance. The para-chloro group on the aromatic core delivers unique reactivity, aiding both in selectivity and in controlling the fate of the molecule in biological or environmental systems. Such tweaks in the structure show up as better yields and smoother reaction workups, particularly in sensitive pharmaceutical or agricultural synthesis.
Practically, in our work with peptide coupling or urea formation, the yield and color profile of final products trend significantly better with the 4-chloro derivative. One of our pharmaceutical partners noticed less product decomposition in scale-up runs, reducing downstream purification steps. In crop science, the slightly higher molecular weight and increased stability provided by the chloro substitution granted longer field persistence, as measured by residual analysis over weeks.
Beyond textbook comparison, these benefits only matter if the material is supplied reliably, cleanly, and with robust logistical planning. For us, that means closely tracking every stage: from building up the raw material stores, through the tightly monitored chemical processing, to the final fill and inventory management. Only then can customers trust that every batch will respond as previous lots did.
Customers rarely use complex chemicals in isolation--they blend, react, and transform them, often in multistep syntheses or highly specific applications. Our relationship with users grows through ongoing dialogue. They share feedback on performance in difficult syntheses or unexpected compatibility issues, and our team responds by making process tweaks or recommending alternate storage or use protocols. Sometimes unexpected impurities lead to collaborative troubleshooting, with both sides working to isolate and eliminate issues swiftly.
Many of the improvements to process and packaging—from tamper-evident seals, to light-blocking drums, or pre-dried ampoules—have come directly from customer feedback. We share best practices openly; if our batch experiment with a specific solvent reveals slower side-reactions, we relay that information to prevent downstream surprises.
When working with more complex applications, certain customers partner in trial runs, sharing analytical feedback. Their firsthand data informs manufacturing and guides our internal process upgrades. For us, responsible production relies on treating these projects as partnerships, combining the discipline of batch control with the agility to adapt based on what actual field and lab data show.
The story of 4-chlorobenzyl isothiocyanate demonstrates that small details—choice of substituent, batch control parameters, packing method—make all the difference in practical outcomes. Chemistry remains a cumulative science. Every production cycle, user review, and quality check builds on what came before. The growth in demand for this compound proves that consistent manufacturing, open data, and honest collaboration matter just as much as starting material price or purity spec. Our experience as manufacturers is shaped by conversations with bench chemists, production engineers, and safety officers, whose real-world needs and feedback help raise the standard for both product and practice.