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HS Code |
626985 |
| Cas Number | 946682-83-9 |
| Molecular Formula | C8H6FNS |
| Molecular Weight | 167.20 g/mol |
| Iupac Name | 1-fluoro-2-isothiocyanato-4-methylbenzene |
| Appearance | Colorless to pale yellow liquid |
| Boiling Point | 226-228 °C |
| Density | 1.18 g/cm³ |
| Smiles | CC1=CC=CC(=C1F)N=C=S |
| Purity | Typically ≥ 97% |
| Solubility | Soluble in organic solvents |
| Storage Temperature | Store at 2-8 °C |
As an accredited 5-Fluoro-2-Methylphenyl 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, labeled with product name, CAS number, hazard pictograms, lot number, supplier details, and safety precautions. |
| Shipping | **Shipping Description for 5-Fluoro-2-Methylphenyl Isothiocyanate:** Ship in tightly sealed containers, protected from light and moisture. Store and transport at ambient temperature. Classified as a hazardous chemical; comply with local, national, and international regulations for isothiocyanates. Use appropriate labeling and documentation. Handle with care to avoid spills, and ensure proper ventilation during transport. |
| Storage | **5-Fluoro-2-Methylphenyl Isothiocyanate** should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from sources of heat, moisture, and incompatible substances such as strong oxidizers. Minimize exposure to air and light. Personal protective equipment should be worn when handling. Store under inert atmosphere if recommended by supplier. Follow all relevant safety guidelines. |
Applications of 5-Fluoro-2-Methylphenyl Isothiocyanate in Industrial ManufacturingAs a dedicated chemical manufacturer, we supply 5-Fluoro-2-Methylphenyl Isothiocyanate directly to specialized downstream industries, addressing the requirements of advanced organic synthesis and high-value end-product manufacturing. Below, we detail its practical roles in real-world segments, with precise compliance, usage, process, and finished product guidance for each industrial application. 1. Pharmaceutical Intermediate Synthesis: Targeted Kinase InhibitorsResearch-driven pharmaceutical operations use this isothiocyanate as a building block in the synthesis of novel active pharmaceutical ingredients, especially small-molecule kinase inhibitors. Its fluorinated aromatic structure allows specific substitution and conjugation reactions, forming unique heterocyclic intermediates used in anti-cancer drug discovery pipelines. QC teams monitor for residual content in the final API to comply with stringent purity directives. Industry compliance standards
Typical usage ratio
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2. Agrochemical Actives and Precursor SynthesisManufacturers of crop protection products utilize this aromatic isothiocyanate in multi-step syntheses for fluorinated thiourea and related herbicide or insecticide actives. Its selective reactivity provides functional group control critical for high-purity agrochemical intermediates, minimizing isomer or byproduct formation through precise stoichiometry, monitored under agrochemical-specific production audits. Industry compliance standards
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3. Specialty Dye and Pigment ManufactureProducers of high-performance dyes employ this compound for the preparation of sulfur-containing azo and diazo chromophores. Its role in introducing specific aryl isothiocyanate motifs leads to superior lightfastness and color sharpness in finished pigments, especially for use in textile, automotive, and plastic masterbatches. Regulatory teams document its use in compliance dossiers to facilitate market approvals, particularly for exports. Industry compliance standards
Typical usage ratio
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4. Custom Organic Synthesis for Material ScienceR&D and commercial operations in advanced materials employ this chemical as an aryl isothiocyanate source for synthesizing fluorinated monomers, specialty resins, and novel polymers. The fluorine-containing aromatic ring imparts desired electronic and mechanical properties to polymer backbones. Analytical and QC departments verify the absence of unreacted isothiocyanate and confirm structural incorporation at each synthesis step as part of product release criteria. Industry compliance standards
Typical usage ratio
Downstream process integration
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Our industry keeps demanding new tools to address tougher challenges in synthesis, especially as R&D teams push deeper into aromatic organofluorine chemistry. 5-Fluoro-2-Methylphenyl Isothiocyanate marks a practical step forward for researchers and manufacturers who value efficiency and reproducible results. This compound has seen remarkable growth in use thanks to its unique substitution pattern—fluorine at the 5-position and a methyl group at the 2-position—offering both the electron-releasing and electron-withdrawing effects that unlock selective reactivity. In practice, this translates to cleaner conversions, fewer side-products, and more control over the resulting downstream compounds.
Chemists often ask why bother with more specialized isothiocyanates when standard phenyl isothiocyanates remain widely available. It comes down to needs that have changed. Where scientists once worked mostly with simple phenyl variants, today’s projects—especially in agrochemical, pharmaceutical, and advanced material fields—require precise tuning of molecular properties. The 5-fluoro substituent resists metabolic degradation and adjusts the electronic nature of the ring, which can boost yield or improve biological activity for finished molecules. The 2-methyl group, on the other hand, alters steric crowding nearby, favoring certain reaction outcomes while helping to steer selectivity during coupling and cyclization steps.
Over several years of hands-on work, our team has seen how these effects speed up isolation and minimize the reworking that used to waste both time and solvents during scale-up. Our line operators and process chemists note that handling this compound presents fewer surprises in purification compared to more heavily halogenated isothiocyanates, and it proves robust under typical storage conditions—a point our shipping staff appreciates, especially as we see orders increase in humid regions.
Scaling aromatic isothiocyanates often exposes unexpected headaches, especially when handling reactive halogenated aromatics. Over time, we developed a tighter grip on each variable, from choice of solvents to the order of reagent addition. In the production of 5-Fluoro-2-Methylphenyl Isothiocyanate, we learned that rigor at every step—starting with quality control on raw 5-fluoro-2-methylaniline—trims impurity levels and means less cleanup downstream. On a practical note, our operators found that fine-tuning the temperature profile during the thiophosgene introduction prevents byproduct formation that can otherwise spike at larger batch sizes.
We run gas chromatography analysis against reference standards throughout the process, not just at the endpoint. Each lot gets tracked for water and acid content, since slight shifts in these readings will change stability on the shelf. Our warehouse teams check for volatility changes over time and routinely confirm that packaging remains tight, reducing the risk of loss from evaporation or slow reaction with atmospheric moisture. These habits may seem routine, but as anyone in manufacturing knows, they often mean the difference between a reliable partner and a headache for the end user.
Year over year, our in-house researchers compare this isothiocyanate to standard phenyl, 2-methylphenyl, 4-fluorophenyl, and even mixed halogen derivatives. Each variant offers a distinct reactivity profile. The combination of the fluorine and methyl substituents creates an electronic environment not seen in single-substituent analogs. In cross-coupling experiments, we find less dimer formation and crisper reaction endpoints, dramatically reducing troubleshooting time compared with less tailored synthons.
Earlier attempts at using simple phenyl or 4-fluorophenyl isothiocyanate produced less predictable yields and more colored impurities in final products for end users who wanted light-sensitive intermediates. Moving to 5-fluoro-2-methylphenyl isothiocyanate resulted in reaction mixtures showing greater clarity earlier in the process—a small but real benefit for those downstream in process development and QA.
Material scientists focusing on advanced polymers see the same thing—by feeding this intermediate into their synthetic routes, they’ve documented improved control over properties like solubility and glass transition temperature, where that particular substitution impacts intermolecular interactions. By producing this isothiocyanate at scale, we keep the supply line steady for those looking to innovate, whether in an academic lab or on a pilot plant floor.
Isothiocyanates occupy a critical space in both research and industrial synthesis, as these functional groups react readily with nucleophilic groups (like amines and alcohols) to directly make thioureas, ureas, and similar scaffolds. The nuanced electronic profile in the 5-Fluoro-2-Methylphenyl core structure opens synthetic possibilities where simpler isothiocyanates fall short. In medicinal chemistry, we see this specificity used to reduce off-target effects, since modified isothiocyanates can slip past biological detoxifying enzymes or sit more selectively at receptor sites.
For agrochemical developers, our customers have built structure-activity relationship libraries around this specific intermediate, searching for improved traits in new candidate compounds. We’ve seen feedback pointing to sharper dose-response curves, which developers trace back directly to this structural difference. In dyestuff and pigment development, the 5-fluoro-2-methyl group can subtly shift optical absorbance properties, producing colors or stabilities that simple phenyl analogs cannot match.
Even outside specialty chemicals, direct use in functionalized monomers for new plastics and elastomers depends on such tailored building blocks. Here, tighter control over substitution and purity supports reproducible final material properties. Our own technical support teams spend time on video calls and email correspondence detailing these differences, sometimes running comparison reactions in parallel batches to help clients pick the ideal isothiocyanate for their unique requirements.
We have listened closely to our long-term clients: for many chemistries, even a small difference in starting material purity can make or break a project. For this product, we routinely achieve purity exceeding 98% by high-performance liquid chromatography, and our documentation follows every lot from raw input through finished packaging. Through experience, we know variants of this class can sometimes carry over residual solvents, so we keep batch records meticulous, noting every measured value for those required to document chains of custody.
Even as new analytical methods have come online (UPLC, high-res mass spectrometry, and more), quality demands remain universal in the industries we serve. Strict adherence to batch recordkeeping prevents future headaches and allows researchers and manufacturers to trace results back to the tiniest detail. This transparency in supply chain supports audits, troubleshooting, and the gradual process improvements that our customers expect from a supplier with nothing to hide.
Chemicals in this category come under more scrutiny as regulations continue to tighten, especially where products are used in regulated pharmaceuticals, crop protection, and certified materials. We have dedicated years to keeping ahead of new guidance, building systems for traceability and risk assessment. For many applications, customers will request documentation on allergens, potential genotoxins, or trace elements. Our team responds with reports supported by real, recent test data, not assumptions or boilerplate.
As more projects push forward toward scale, the focus on regulatory compliance intensifies. This is not just paperwork. Faster and more transparent answers translate directly into production workflows that save time, reduce costly setbacks, and allow research and pilot efforts to focus on discovery, not on untangling supply chain mysteries.
Manufacturing is not a silent, isolated activity; our growth has followed the partnerships we’ve built with downstream innovators and their evolving needs. Researchers have brought up concerns—sometimes a compound will clog a reactor feed or foam unexpectedly in a new solvent. Because we employ technical staff with years of practical bench and plant experience, feedback often travels straight from the customer plant floor to our own process lab.
A recent example had to do with an unforeseen impurity that only appeared during a tertiary amine coupling, leading one customer’s project to stall. Our team isolated and identified the culprit—a trace chlorinated byproduct left over from a previous phase—and updated both process controls and downstream documentation. That level of back-and-forth, building trust over time, keeps our expertise rooted in day-to-day needs and real operational data, not just catalog descriptions or theoretical claims.
Our business started with small-scale, custom-synthesized batches for university research labs. Today, as 5-Fluoro-2-Methylphenyl Isothiocyanate finds use in pilot plants and full production runs, we remain committed to the hands-on approach that made those first partnerships successful. Small discrepancies during scale-up quickly ripple through entire campaigns, so we treat each batch with the same care, sharing analytical and process data directly with trusted clients.
Adapting to growing demand has meant investing in both personnel and instrumentation. We have expanded our reactor capacity, improved air handling to reduce cross-contamination, and standardized our sample archiving so reference batches can be pulled at a moment’s notice. Our process chemists document every new observation and unforeseen detail, updating protocols and feeding back lessons to every corner of our operations.
Within our own plant, questioning assumptions is a habit. We run continuous pilot trials to see how even small changes in temperature, solvent grade, or order of addition impact yield and quality. When batch records flag an outlier—even a slightly different odor or color in the finished product—our internal auditing teams retrace every step and pull samples to run fresh analyses.
We modify our SOPs and retrain staff as needed, often well ahead of any client request. By keeping test results and real-world feedback in view, we support the technical development that lets our customers take on riskier or more complex chemical projects with confidence.
Manufacturing specialty isothiocyanates, especially those containing aromatic and halogenated groups, brings environmental responsibilities we treat seriously. We work to minimize solvent use through recovery and recycling and dispose of waste streams according to strict protocols. Our maintenance teams monitor air and effluent discharges using the latest technology, adjusting controls as processes evolve year by year.
We encourage staff to suggest changes—often finding tweaks in filtration or distillation that drop emissions further or cut waste. By auditing not just what leaves the plant but how each process stage impacts broader environmental practices, we reinforce both regulatory compliance and our employees’ pride in responsible operations.
Chemistry grows ever more specialized, and flexible production of intermediates like 5-Fluoro-2-Methylphenyl Isothiocyanate supports the next wave of discovery. Many new pharmaceuticals and material technologies will likely depend on building blocks that can’t be described as generic or off-the-shelf. With every new collaboration, we aim to bring not just a product but the combination of experience, process knowledge, and a willingness to listen and adjust that sets a true manufacturer apart.
As we continue investing in people, process optimization, and technology, our focus stays anchored to real results in the hands of working chemists and process engineers. That spirit—learning from experience and standing behind every shipment—guides our workday in and day out, shaping the path forward for both us and our partners.