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4-Fluorobenzyl Isothiocyanate

    • Product Name 4-Fluorobenzyl Isothiocyanate
    • Alias 4-Fluorophenylmethyl isothiocyanate
    • Einecs 253-248-5
    • 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
    VTB
    Specifications

    HS Code

    217545

    Chemical Name 4-Fluorobenzyl Isothiocyanate
    Cas Number 2252-50-8
    Molecular Formula C8H6FNS
    Molecular Weight 167.20 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 87-89°C at 5 mmHg
    Density 1.19 g/cm³
    Refractive Index n20/D 1.604
    Purity Typically ≥98%
    Smiles FC1=CC=C(C=C1)CN=C=S

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

    Packing & Storage
    Packing Amber glass bottle, 25g, with tamper-evident cap; labeled with chemical name, CAS number, hazard symbols, and storage instructions.
    Shipping 4-Fluorobenzyl Isothiocyanate is shipped in secure, airtight containers, compliant with relevant chemical safety regulations. Packaging prevents moisture and light exposure, and containers are labeled with hazard information. Shipping is handled by licensed carriers specializing in hazardous materials, ensuring safe, regulated transport. A Safety Data Sheet (SDS) accompanies each shipment for reference.
    Storage 4-Fluorobenzyl Isothiocyanate should be stored in a cool, dry, and well-ventilated area, away from incompatible substances such as strong oxidizers and acids. Keep the container tightly closed and protected from light and moisture. Store at room temperature, in a chemical fume hood if possible, and clearly label the container with appropriate hazard warnings.
    Application of 4-Fluorobenzyl Isothiocyanate

    Applications of 4-Fluorobenzyl Isothiocyanate in Industrial Manufacturing

    As a direct manufacturer of 4-Fluorobenzyl Isothiocyanate, we supply this compound to downstream sectors that demand high-purity intermediates for advanced synthesis. Our technical team supports procurement, R&D, and quality functions for enterprises in specialties including pharmaceutical intermediates, crop protection chemicals, advanced material additives, and specialty dyes. Explore detailed application scenarios based on verified industrial practices below.

    1. Pharmaceutical Intermediate Synthesis for Targeted Oncology Agents

    Pharmaceutical companies integrate 4-Fluorobenzyl Isothiocyanate for the synthesis of selective anticancer molecule intermediates, especially in the preparation of aryl isothiocyanate core structures crucial for kinase inhibitors. The compound enters key coupling reactions, contributing the fluoro-aryl motif required for biological activity optimization. Controlled introduction occurs during late-stage intermediate formation to ensure isomeric selectivity in line with patented small-molecule development pipelines.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • European Pharmacopoeia Monographs relevant to APIs
    • US FDA cGMP for Bulk Pharmaceutical Chemicals (21 CFR Part 210/211)
    • China Pharmacopoeia general requirements for API intermediates

    Typical usage ratio

    • 0.85–1.12 molar equivalents per batch, adjusted to maintain ≥98% conversion and control for byproduct minimization during condensation or substitution steps

    Downstream process integration

    • Added at controlled temperature during the final intermediate coupling stage or arylation reactions in multi-step synthesis under inert conditions

    Final product types

    • Selective kinase inhibitors
    • Fluoroaryl-containing anticancer drug candidates
    • API intermediates for proprietary medicinal chemistry programs

    2. Synthesis of Agrochemical Building Blocks

    Producers of advanced crop protection agents employ this compound to introduce fluoroalkyl functionality into pre-emergent herbicide and fungicide scaffolds. Its isothiocyanate group reacts with selected amine or alcohol partners to establish heterocyclic pharmacophores, directly affecting bioactivity and selectivity profiles in accordance with regulatory assessment protocols for active ingredient safety and efficacy.

    Industry compliance standards

    • REACH Regulation (EC) No. 1907/2006 for agricultural chemical raw materials
    • FAO/WHO Minimum Requirements for Pesticide Active Ingredients
    • ISO 9001:2015 Quality Management for chemical input production
    • China GB 2763 for pesticide residue safety in formulation

    Typical usage ratio

    • 2–5% w/w input in intermediate generation, with exact level determined by the stoichiometric formation of targeted ring-structured products in pilot and full-scale batches

    Downstream process integration

    • Introduced after initial condensation in the stepwise formation of substituted benzothiazoles or isothiazolinones, typically as part of the nucleophilic addition or cyclization step

    Final product types

    • Fluorinated isothiazolinone fungicides
    • Pre-emergent herbicidal actives
    • Bioactivity-optimized pesticide intermediates

    3. Advanced Materials Additives for Specialty Polymers

    Specialty polymer manufacturers utilize 4-Fluorobenzyl Isothiocyanate in the controlled grafting of functional groups to improve polymer properties such as chemical resistance, mechanical strength, and solubility. The compound’s unique structure provides reactivity with polymer backbones during solution or melt-phase functionalization, supporting the design of performance-enhanced fluorinated polymers used in high-value applications like electronics and engineered membranes.

    Industry compliance standards

    • ISO 14001:2015 Environmental Management for chemical processing
    • RoHS Directive 2011/65/EU for restricted substances in electronics
    • UL 94 flammability standard for component materials
    • TSCA (Toxic Substances Control Act) reporting for novel polymer additives

    Typical usage ratio

    • 0.3–1.0% w/w in functionalization reaction mass, optimized according to targeted grafting density and downstream mechanical testing outcomes

    Downstream process integration

    • Added into the reactor during copolymerization or post-polymerization modification stages, under controlled temperature and mixing to ensure uniform distribution of fluoro groups

    Final product types

    • Fluorinated specialty polymers for electronics or automotive
    • Membrane materials with enhanced solvent resistance
    • High-performance composite additives

    4. Synthesis of Fluoroaromatic Dyes and Chromophores

    Dye and pigment manufacturers exploit this compound’s isothiocyanate moiety to derive fluoroaryl-functionalized chromophores for use in specialty dyes and fluorescent markers. The introduction of the fluoro group enhances the stability, bathochromic shift, and quantum yield of the resulting dyes, complying with regulatory specifications for product performance and safety in industrial coloration applications.

    Industry compliance standards

    • EN 71-3:2019 Safety of Toys – Migration of Certain Elements (for textile and ink dye applications)
    • ECO PASSPORT by OEKO-TEX® for dye chemical safety
    • REACH Annex XVII for azo compound content
    • ZDHC Chemical Gateway–MRSL conformance for textile dyes

    Typical usage ratio

    • 1.2–2.0 molar equivalents against the amine precursor, fine-tuned for desired color intensity and solubility attributes

    Downstream process integration

    • Integrated during the condensation or nucleophilic substitution reaction with aromatic amines to build up the core dye structure, followed by purification and formulation steps

    Final product types

    • Fluorinated azo and heterocyclic dyes for textiles
    • Fluorescent markers for scientific and diagnostic uses
    • Specialty pigments with high light stability
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    Certification & Compliance
    More Introduction

    4-Fluorobenzyl Isothiocyanate – Practical Commentary from the Manufacturer

    Getting to Know 4-Fluorobenzyl Isothiocyanate

    Working every day right at the reactor, seeing chemicals come together batch after batch, gives a practical view that goes much deeper than a standard supply brochure. Among the niche isothiocyanates on our line, 4-Fluorobenzyl Isothiocyanate stands out for us, mostly because of its clean performance and reactivity. We label it under our in-house code 4FB-ITC-99 for identification in production and traceability logs, highlighting its minimum 99% GC purity which comes from consistent fractional distillation and controlled synthesis. This purity standard didn’t come easy—our team tweaked the protocol for months to reach clear, repeatable GC peaks.

    Unlike more common benzyl isothiocyanate, this molecule carries a para-fluoro group on its aromatic ring. That detail changes not just its reactivity but its handling and utility in the downstream chemistry. In day-to-day terms on the plant floor, that means fewer impurities at workup stages and less fuss with purification when our customers scale up. Looking at it through an operator's lens, it’s not the sort of compound that gives us problems during packaging—the crystalline, pale solid form sits well, neither clumping nor picking up much moisture during regular storage conditions.

    Chemists who look for isothiocyanates with predictable reactivity value this option for the substitutions the fluorine brings, particularly in pharmaceutical building blocks and specialty intermediates. Adding the para-fluoro group modulates electron density on the ring—a known lever for chemoselectivity and fine-tuning downstream transformations. We see regular orders from teams working on small-molecule inhibitors and diagnostic probes, especially those needing strong leaving group properties or radio-labeling. In my experience, process chemists prefer a reagent that gives them clean conversions, robust shelf-life, and doesn’t devolve into unreliable side reactions—and 4-Fluorobenzyl Isothiocyanate checks all those boxes.

    From Lab Bench to Plant Scale: Bringing Out the Best in the Molecule

    Anyone synthesizing this compound on a larger scale knows that bench-top methods often fall short when grams shift to kilograms. In our facility, we moved away from batch-wise addition of thiophosgene to the benzylamine precursor due to safety and inconsistency. Instead, we invested in semi-continuous equipment and heavily monitored vent lines for phosgene traces. Handling fluoroaromatic intermediates meant dealing with both volatility concerns and waste disposal regulations, which forced us to retool our scrubber lines. On top of that, fluorinated organics have a reputation for fouling glassware, so we switched to PTFE-lined vessels for large volumes.

    Our staff tracks every cycle for repeatability, not just for regulatory QA audits but because that’s what keeps complaint tickets low and customer processes on track. The end product gets tested on every batch before being filled—GC for purity, NMR for correct substitution pattern, and we routinely confirm the exact melting range. Our experience makes it clear that even a 1% shift in composition can ripple down to a failed customer step, so we keep batch records detailed to source every deviation. A decade back, we had a batch drift on melting point that flagged mishandling in a storage drum; that led us to overhaul bulk transfer controls and triple-check order labeling.

    Comparing to Similar Compounds

    On paper, 4-Fluorobenzyl Isothiocyanate shares a family with plain benzyl isothiocyanate and various methyl or chloro-substituted analogues. In a reactor, the difference is direct. Fluoro substitution on the para position tightens reaction selectivity in nucleophilic addition—less chance of scrambling, fewer impurities after coupling with amines or thiols. The electron-withdrawing nature of fluorine stabilizes adjacent bonds, so we see sharper, quicker endpoints on TLC in real-world runs. Teams synthesizing novel drug scaffolds lean toward the fluoro-substituted version whenever they need that improved selectivity. In crop protection research, where downstream functional groups get designed for bioactivity and resistance profiles, the fluoro tag opens up patterns that simple benzyl can’t mimic.

    We also get feedback that handling improved for downstream chemists. With some isothiocyanates, you get a lingering, sharply pungent aroma and sticky residues no matter how careful you are with glovebox technique; with the para-fluoro compound, the odour is more muted and the product washes away with far less stubborn residue on glassware. In the words of a customer’s process lead, “You engineered out the headache that comes from sticky ITC cleanups.” That’s not a minor point to those who spend all shift prepping for the next stage instead of cleaning up after the last run. In our own plant, the lower volatility helped us meet workplace exposure limits more easily—monitoring staff spends less time investigating air-quality anomalies after production and packaging.

    Real-World Uses and Customer Demands

    Most shipments bound for pharmaceutical process clients arrive in nitrogen-purged drums designed for easy transfer under dry conditions. We see a push in the life sciences space to form urea and thiourea moieties as part of kinase and protease inhibitor research. In the crop science market, it’s all about prepping for SAR (Structure–Activity Relationship) studies on new herbicides and pesticides. Our regulars working in dye and pigment synthesis tell us that para-fluoro can lead to colorants with deeper blues and improved fastness compared to unsubstituted compounds.

    Academics place small-volume orders to experiment with nucleophilic aromatic substitution—one PhD researcher told us their 4-fluorobenzyl derivatives opened up routes in peptide modification that plain benzyl couldn’t support. On the industrial side, one petrochemical offshoot firm buys lots for sulfur ylide chemistry, leveraging the improved electron distribution from the para-fluoro group. The reliability we have reached with 4-Fluorobenzyl Isothiocyanate means even smaller high-purity applications, like biomedical imaging probes, can run on our bulk supplies without losing consistency.

    Why Purity and Batch Tracking Matters—Lessons from Daily Production

    Our plant crews put in overtime to make sure each lot sticks closely to spec; fluctuations don’t just affect chemistry—they create real-world delays for our customers. One year we received several customer reports of sluggish reactions traced back to a spike in a minor aromatic impurity. This pushed us to upgrade our inline monitoring to capture outliers before packing even starts. From that point onward, we realized the value in direct traceability—for each drum, we can cross-reference every test point, every operator note, every tank wash, so if anything slips, we move on it fast.

    Setbacks add cost for everyone down the chain. Chemists want to see clear, sharp signals on their NMR and clean reactions, not a headache at workup. Reliability gets built batch by batch, and with this compound’s adoption in regulated industries, our documentation and response record matter as much as the continental-grade packing material. If someone files a query, we open the vault on that batch’s logs, test results, and QC signoffs—process reliability, not just product.

    Regulatory, Handling, and Waste Viewpoints from Our Side

    The para-fluoro group means the molecule falls under scrutiny in some markets, so we pay close attention to compliance and documentation. The plant team gets trained on proper personal protection and neutralization protocols. Plant operators handle the thiophosgene intermediates in closed systems and scrub any residuals aggressively—nobody wants phosgene traces anywhere near human lungs or the local water table. Routine air monitoring and real-time analytics form our safety backbone. We have improved our waste neutralization system, relying on basic rinses and oxidizers for minimal environmental impact. Developed world regulations call for cradle-to-grave documentation. On more than one occasion, this has forced us to change suppliers who couldn’t prove fluorine content chain-of-custody compliance.

    Packaging choices became important through experience. We used to fill in steel drums, but reports of minor corrosion led us to high-density polyethylene for most orders and PTFE-lined steel for the riskiest transports. Transport staff learned the hard way that simple leaks could bring hefty fines, so seals and drum heads get double-gasketed and pressure-checked before loading for export. For international couriers who require extra documentation for fluorinated compounds, we prepare detailed COAs and, at the customer’s request, share NMR spectra for the actual packing batch. That detail is extra work, but it keeps overseas returns low and customer satisfaction high.

    Troubleshooting and Customer Support Approach

    Questions come in all the time about best handling, shelf stability, and cleanup method. From our tests, the solid form resists degradation under regular storage, and nitrogen packing keeps it stable for well over a year. Wet hands and humid lines have caused issues—this product hates water, so operators train not to open containers until they’re ready for transfer. We suggest grounding static-prone surfaces and venting transfer stations, after learning that static build-up turns even the cleanest filling zone into a containment headache. Oversights in dry transfer or incorrect line washing led us to release hands-on video protocols for new customers.

    Some buyers want high-throughput reaction tips, so our technical staff pulls up past process batch records. For chromatography clean-ups, non-polar solvents outperform alcohols—it took several weeks of trial runs and peer input to find that, and it saves customers time. Clients call us directly for up-to-date advice based on the latest test batches. Real-world feedback and process tweaks come through our post-delivery support, and it’s these details that set apart manufacturers who stand by each batch from generic resellers.

    Operator Experience – Store and Scale-Up Wisdom

    Our plant techs developed a workflow to minimize chemical exposure, using closed-loop transfer from shipping drum to glass-lined reactors. Training covers not just standard PPE but also quick-response protocols in case of spills—nobody wants a floor problem to ruin a production run. Regular audits led us to re-label the bulk containers in multiple languages, which cut down on confusion during off-shift operations. We track drum weights, physical appearance, and melting behavior at every scale-up—small signs that may point to big problems later if missed.

    Most users process in kilogram lots, but some customers scale to hundreds of kilos for pilot plant runs. For anyone scaling up, certain quirks reveal themselves: rapid addition too early leads to temp spikes, while slow addition keeps exotherms in check. Investing in good temperature control paid for itself in reduced side-product formation. Lessons learned here help our customers run efficient, safe processes on their end.

    Why 4-Fluorobenzyl Isothiocyanate Remains a Plant Favorite

    Legacy molecules have their place, but modern chemistry calls for reagents that bring efficiency, safer handling, and easier downstream work. 4-Fluorobenzyl Isothiocyanate fills that niche for real-world chemists because of its stability, shelf life, and sparing impact on glassware and air quality. The structure’s electron-withdrawing fluoro group raises reactivity where it counts, translating to both cleaner product and higher overall yields. We take pride in preparing this product to a consistent purity and ensuring that documentation and direct support stay close at hand.

    Reliability in every batch means far more than just a number on a certificate—every step from chilled delivery to QC sampling to batch record cross-checks impacts how well a customer can do their own work. Our staff can point to exact runs, vials, and NMR spectra for each drum shipped. Tracing a problem, or confirming a success, comes quickly, not because someone filled in a checklist but because transparency runs through each line of our operation.

    Continuous Improvement and Real-World Partnership

    Manufacturing specialty chemicals like this gives you respect for the mix of process control, human attention, and customer dialog. Surprises crop up, demands shift, but direct operator input keeps us ahead of challenges. We meet monthly with technical teams to plan process tweaks, from improved drum linings to on-the-fly analytical upgrades. Feedback from customers working on new pharma targets, dye formulations, or crop science projects finds its way back into our routines. Sometimes those lessons are as simple as learning a better way to vent a reactor or improving the drum closure for export shipments. That two-way communication drives real gains on both sides.

    All the years handling 4-Fluorobenzyl Isothiocyanate have convinced us that success grows batch by batch, handled with attention to detail and a willingness to face—and learn from—faults. We keep pushing for better quality, safer methods, straighter paperwork, and open customer communication. Offering this compound means more than making a sale; it means real-world support for everyone relying on precise, dependable specialty reagents.