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HS Code |
851776 |
| Iupac Name | 2-[(4-fluorophenyl)methylsulfonyl]acetonitrile |
| Cas Number | 116761-38-1 |
| Molecular Formula | C9H8FNO2S |
| Molecular Weight | 213.23 g/mol |
| Appearance | White to off-white solid |
| Melting Point | 68-72°C |
| Solubility | Soluble in organic solvents (e.g., DMSO, methanol) |
| Smiles | C1=CC(=CC=C1CS(=O)2)F.CC#N |
| Inchi | InChI=1S/C9H8FNO2S/c10-8-3-1-7(2-4-8)5-14(12,13)6-9-11/h1-4H,5-6H2 |
| Purity | Typically ≥98% |
| Storage Conditions | Store at 2-8°C, protected from light and moisture |
As an accredited 4-Fluorobenzylsulfonylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Sealed amber glass bottle containing 10 grams, labeled with chemical name, formula, batch number, hazard symbols, and safety instructions. |
| Shipping | 4-Fluorobenzylsulfonylacetonitrile is typically shipped in airtight, chemically resistant containers to prevent moisture and contamination. The package is clearly labeled and handled according to local regulations for hazardous chemicals. Shipping conditions may require temperature control and adherence to UN and IATA guidelines for safe transport of chemical substances. |
| Storage | 4-Fluorobenzylsulfonylacetonitrile should be stored in a tightly sealed container, protected from light and moisture, in a cool, well-ventilated area. Keep away from sources of ignition, heat, and incompatible substances such as strong oxidizing agents. Ensure clear labeling and restrict access to trained personnel. Follow all local regulations regarding chemical storage and disposal. |
Applications of 4-Fluorobenzylsulfonylacetonitrile in Industrial Manufacturing4-Fluorobenzylsulfonylacetonitrile serves as a specialty intermediate in several advanced chemical manufacturing sectors. Our production expertise supports its use across select, established downstream segments, where precise formulation, regulated compliance, and controlled synthesis are necessary for consistent, high-purity yield in final products. We supply this compound strictly to manufacturers with validated processes in the following categories: 1. Pharmaceutical Intermediate Synthesis for Antitumor AgentsLeading innovators in oncology drug research use our material in the multi-step synthesis of small-molecule kinase inhibitors. These processes demand high-purity intermediates for subsequent heterocyclic coupling and sulfonamide linkage reactions integral to the active pharmaceutical ingredient structure. Quality control and traceability throughout the route remain strictly regulated, emphasizing impurity management from the very first addition of this compound. Industry compliance standards
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2. Agrochemical Building Block for Sulfonylurea HerbicidesMajor crop protection manufacturers select this material as a precursor in constructing sulfonylurea scaffolds, valuable for selective herbicide active ingredients. The intermediate participates in sequential sulfonylation and cyanation transitions, forming key structural motifs necessary for herbicidal bioactivity. Product integrity must meet both regulatory and technical traceability demands, with batch records aligning with stewardship protocols for agricultural input chemicals. Industry compliance standards
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3. Fine Chemical Intermediate in Organic Electronics MaterialsOur compound supports advanced materials R&D programs, particularly as an intermediate for synthesizing substituted benzyl-based molecules in organic electronic applications. These downstream uses emphasize precise functionalization processes for specific photophysical tuning and charge transport optimization. All batches undergo rigorous in-process checks for elemental purity, residual solvents, and absence of protic or metal impurities that could impact end-device performance. Industry compliance standards
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4. Specialty Intermediate for Fluorinated Fine Chemicals and DyesDye and pigment manufacturers use this specialty intermediate when precision fluorine and sulfonyl group placement is required on benzyl scaffolds. The material enters selective cyanomethylation steps in the synthesis of functionalized colorants, delivering unique solubility and photostability traits for demanding industrial applications. Each production run aligns to strict lot tracing and downstream GMP-suitable documentation due to colorant migration and environmental compliance factors. Industry compliance standards
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As experienced chemists and process engineers, we don't judge our products in the comfort of an office. We review their behavior in the thick of long syntheses, side-by-side with those who rely on consistent, high-purity intermediates. A single hiccup during a crucial coupling, or a dropout in purity that stalls a project, can cost real time and real money. For those seeking 4-Fluorobenzylsulfonylacetonitrile, this reality shapes every batch we produce and every lot we ship.
Every chemist who’s struggled with stubborn sulfone intermediates, or who’s tracked yield losses to unmonitored impurities, can appreciate the design behind this molecule. 4-Fluorobenzylsulfonylacetonitrile doesn’t just fill a catalog slot; it opens up possibilities for clean, controlled synthesis, especially in the realm of pharma building blocks and advanced materials. We refer to it here by its molecular designation, but in the lab, it’s the detail and precision that draw attention: a nitrile group for further functionalization, a sulfonyl handle that resists hydrolysis, a para-fluoro tagging site for robust tracking in complex dashboards of reactivity.
Working with this material over hundreds of kilos, we’ve come to recognize the subtle advantages that separate a factory-grade intermediate from a half-hearted bench sample. Good product looks clean and handles easily, but more is demanded of process-grade material. Granulation, pour density, and clumping all matter. In our experience, these parameters shift as pressures and humidity levels change, so we run all final batches through environmental stress tests before green-lighting release.
Chemists use 4-Fluorobenzylsulfonylacetonitrile to drive selective transformations, whether it’s adding new substituents efficiently or preparing new analogues for development pipelines. A seasoned process team expects control over reactivity and purity. Analytical data from our reactors consistently shows tight purity control—losses falling below 0.1% on monitored impurities, and batch-to-batch consistency over a six-month span rarely drifting beyond 1% deviation.
In several scale-up projects, partners have shared their hands-on experiences. One pharmaceutical client ran iterative process trials on this intermediate, observing that cleanup steps after coupling required significantly less column processing than with competitive analogues, thanks to reduced sulfone hydrolysis. Fewer downstream purifications mean direct cost savings and less solvent usage—both critical for modern production.
Another specialty materials client leaned on the stability imparted by the para-fluoro substitution. Unlike unfluorinated sulfonylacetonitriles, which saw minor degradation during long-term storage, feedback showed our material keeping within specifications after twelve months in ambient conditions. This gave them confidence to stock larger volumes, minimizing shipment frequency and winching down carbon footprint.
The control isn’t accidental. Decades in chemical manufacturing have taught us the hard way about the importance of raw material selection. Benzyl chloride sources, anhydrous conditions, and fine-tuned reaction times all influence the outcome. A minor variation in sulfonylation temperatures or a trace solvent left behind can set a whole drum off-spec—not a lesson forgotten after a few rejections.
We maintain strict internal reference standards, tracing every impurity profile and noting how parameters drift when upstream suppliers tweak their own specs. In several cases, we’ve intervened upstream, working directly with solvent and oxidant suppliers for better lot release protocols. Over the years, this vigilance has prevented everything from subtle odor contamination to unexpected color variances—both of which can ruin downstream analytical steps for our customers.
Production batches are not just tested by internal analytics. We take samples from actual drums, store them under field-realistic conditions, then rerun GC and NMR after simulated warehouse cycles. These steps catch shelf-life surprises before they reach a customer’s loading dock. It might look like overkill, but after handling dozens of recalls and crisis management calls, we’ve found that time spent up front saves magnitudes of stress down the line.
Some buyers ask only about purity, quoting a figure from an analysis report. It’s tempting to rest on a number, but actual use shows that trace moisture, residual solvents, and mechanical contaminants can upend yield or sidetrack a pilot run. We define specifications after cross-talking with pilot plant users: moisture content routinely below 0.2%, residual toluene or other solvents tightly minimized, light aromatic byproducts held to levels that won’t interfere with NMR integrals or downstream reactivity screens.
Models labeled as "4-Fluorobenzylsulfonylacetonitrile" in our workflow share a core structure, but we track minor differences in crystal habit, particle size, and flow that arise from tweaks in loading or purification. Some buyers, especially in high-throughput medchem, want the finest powder for rapid solubilization. Others, running automated feeders, prefer material with larger, dust-free grains to keep feeding trouble-free. We don’t see one-size-fits-all here—a standard model emerges only after deliberate tuning and between-site dialogue where feedback from one user might tip a batch toward a specific end use.
Questions come in from procurement and research teams—how does this molecule differ from the parent benzylsulfonylacetonitrile, or from other fluoro-derivatives? Distinctions become clear on the bench and during pilot plant scale-up. The para-fluoro group confers meaningful chemical stamina under both thermal and oxidative stress. In head-to-head comparisons, we’ve seen para-methyl and non-fluorinated variants give higher side-product formation under identical oxidatively-reductive coupling conditions.
Customers aiming for the most reliable downstream functionalization gravitate toward the 4-fluoro variant for consistent performance in cross-coupling and for ease of detection in analytical monitoring. The traceability shows its worth in regulated syntheses—chromatography becomes more straightforward and identity confirmation much simpler. Those subtle benefits only reveal themselves when projects reach hundreds of kilos, when surprises multiply exponentially with scale.
Some clients remember early attempts to use cheaper, readily available benzylsulfonylacetonitrile grades. Those batches often suffered from unpredictable decomposition during storage or left behind persistent color bodies, leading to increased workup steps. The para-fluoro modification was not randomly chosen; it reflected conversations and repeated requests from process chemists looking to tighten their control over both production consistency and shelf stability.
We’ve teamed up with client process teams for joint validation studies in real production environments. For instance, in a process producing a complex sulfone, we collaborated on determining the critical impurity thresholds that begin to affect downstream reactivity. Tweaks on our end—in drying, repeated vacuum cycles, small changes to reagent quality—were mirrored by measurable gains in their yields and in shortening their cycle time. These partnerships have grown into a feedback-rich loop, with shared lessons making each subsequent production more robust.
Field work teaches a manufacturer the limits of technical data sheets. Unexpected caking during long voyages, subtle signs of particulate matter that escaped initial filtration, or even unusual batch odors—these real problems never surface in standard lab conditions. We hold quarterly root cause sessions to review reported issues and conduct new stability and packaging trials. No analyst or supervisor here wants the same customer complaint reaching us more than once, and every field insight winds up in our process revisions.
Many R&D teams focus on fast iteration and rapid library creation. They demand intermediates that dissolve on command, react promptly, and leave no spectral or chromatographic residue. We have engineered our product to keep interfering signals to a hard minimum—feedback from users confirms fewer red lines on their chromatograms and cleaner integration on real-world spectra.
In material science settings, requests have sometimes centered on crystal properties—batch-to-batch reproducibility helps downstream stages that depend on predictable melting or dissolution. The adjustments made to our crystallization parameters mean fewer surprises in automated fill lines and easier scale transfers from bench to plant. That has allowed partners to stretch their runs and boost batch productivity, as bottlenecks from inconsistent material flow recede.
Industrial users know that safety extends beyond compliance documentation. Handling a powder that de-dusts easily, packs securely, and doesn’t clump in high humidity isn’t just a logistics detail—it spares staff exposure and minimizes line stoppages. Process team feedback has led to improved packaging that keeps dust at bay and resists puncture. By refining both the product and the bulk handling, we keep operators safer while cutting wastage at every step from warehouse through plant discharge.
We draw on years of batch experience and feedback from shipping partners. Drums arrive with consistent color and odor, contents measured and sealed for humidity resistance. Field reports coming in quarterly inform tweaks to packaging gauge, liner selection, or drum closure protocols. Each lesson learned gets built into the next release—no chemical manufacturer can afford to ignore what happens mid-transit as much as mid-reaction.
Our team invests heavily in pilot trials and scaling exercises—not in isolation, but alongside end users. We run technical sessions every season, looking at new reactivity pathways, updated analytical methods, and post-market feedback loops. Over time, this has produced a continual refinement of both the technical specs and best-use guidance that helps newer teams avoid the pitfalls encountered by longer-term users.
Shifts in environmental regulations, solvent preferences, and supply chain security force us to revisit raw material sourcing and qualifications with each market wave. We apply green chemistry design where possible: sourcing less hazardous precursors, using tighter solvent recovery, and linking up with partners on energy-saving initiatives. In one case, a switch to recycled solvent and closed-loop filtration cut waste by a quarter and eventually found its way back as benefits on users' internal audits. These improvements aren’t marketing points—they yield measurable impact for anyone downstream.
Anyone can issue a purity certificate. Real reliability gets proven one batch at a time and is forged under the pressure of urgent customer schedules, process upsets, and regulatory deadlines. We check every box not because a paper spec demands it, but because every deviation or shortcut finds its way back in extra workload, longer downtimes, or loss of trust. A skilled chemist knows the difference between theoretical minimums and actual clean performance, and we always aim to deliver the latter.
If you’ve faced setbacks from mediocre sulfonyl intermediates—be it unstable powders, stubborn impurities, or inconsistent supply—direct dialogue helps the most. Our plant floor stays open to exchange, and our team sees each technical challenge not as another ticket, but as a real-world puzzle waiting for an expert fix. Each year brings new hurdles and fresh solutions, but our drive to deliver practical, reliable 4-Fluorobenzylsulfonylacetonitrile never wavers, because in the world of advanced manufacturing, the line between small missteps and mission success is often just a molecule wide.