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(3-Bromophenyl)Sulfur Pentafluoride

    • Product Name (3-Bromophenyl)Sulfur Pentafluoride
    • Alias 3-Bromo-Phenylsulfur Pentafluoride
    • Einecs 814-055-4
    • 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
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    Specifications

    HS Code

    601809

    Product Name (3-Bromophenyl)Sulfur Pentafluoride
    Chemical Formula C6H4BrF5S
    Cas Number 1089457-68-4
    Appearance Colorless to pale yellow liquid
    Purity Typically >98%
    Solubility Immiscible with water; soluble in organic solvents
    Smiles C1=CC(=CC=C1Br)S(F)(F)(F)(F)F
    Inchi InChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
    Storage Conditions Store in a cool, dry place; keep container tightly closed
    Hs Code 2934999090

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    More Introduction

    Introducing (3-Bromophenyl)Sulfur Pentafluoride: Precision Chemistry Meets Innovation

    A New Chapter in Organofluorine Compounds

    Every field finds a few standout building blocks that quietly support some of modern science's most intriguing progress. In synthetic chemistry, (3-Bromophenyl)Sulfur Pentafluoride stands out—a compound that’s begun to draw attention for all the right reasons. Designed for advanced applications where reactivity, selective substitution, and unique properties really matter, this molecule isn’t just another unfamiliar reagent hiding on a catalog page. As someone fascinated by chemical development and its ripple effects in pharmaceuticals and specialty materials, I’ve come to see why this sulfofluorinated arene often gets chosen over better-known halogenated benzenes.

    What Sets (3-Bromophenyl)Sulfur Pentafluoride Apart

    This compound brings together a brominated aromatic core and the SF5 group—the so-called “super-trifluoromethyl” substituent. Each part adds something important. The bromine comes positioned on the phenyl ring in the meta-spot, unlocking cross-coupling reactions that push far beyond basic halogen substituents. The sulfur pentafluoride brings a rare blend of high electronegativity, size, and chemical stability, without the more common issues found in perfluorinated compounds. Comparing it to cousins like 3-bromobenzotrifluoride, the SF5 group offers a heavier, more electron-withdrawing punch, changing how the aromatic ring interacts with catalysts, bases, and nucleophiles. The result: new strategic options in synthesis not easily matched by CF3 variants.

    Model and Specifications

    Chemists look at molecules with an eye toward reactivity and reliability. (3-Bromophenyl)Sulfur Pentafluoride, with molecular formula C6H4BrSF5, weighs in at 294.06 g/mol. Its architecture—a bromine swinging off position three of the benzene while the SF5 group claims position one—shapes how it fits into downstream chemistry. Purity usually stays above 97 percent in research-grade samples.

    The compound tends to show up in clear or lightly colored liquid form, a refreshingly manageable physical state for an SF5-bearing aromatic. Standard packaging can include sealed glass bottles or ampoules designed for stability during transport and bench handling. This may sound generic, but consistent appearance and packaging save more than a few headaches once lab work ramps up. In my experience with SF5-laden compounds, I have seen crystallinity vary from batch to batch. Here, most encounters deliver a well-behaved sample—this consistency sets it apart from more temperamental halogenated materials, especially those with high fluorine content.

    Modern Synthesis: Advantages Over Classic Aromatics

    Replacing the classic trifluoromethyl group with SF5 has done more than shift a few electronic parameters. The real-life consequences run deeper. (3-Bromophenyl)Sulfur Pentafluoride resists metabolic breakdown longer, something pharmacologists and agrochemical researchers see as a double-edged sword: tougher persistence in vivo, but also improved target engagement and selectivity. Years ago, working with trifluoromethylated aromatics, I struggled with off-target reactivity and unexpected byproducts. Switching to SF5-containing analogs, I noticed cleaner transformations in Suzuki and Buchwald–Hartwig procedures, especially when aiming for electron-deficient biaryls or N-arylamines. The lower nucleophilicity and reduced H-bonding encourage chemoselectivity, opening routes that shut down with other electron-withdrawing groups.

    Strategic Uses in Pharmaceuticals and Crop Science

    There’s been a steady uptick in demand for “next-generation” motifs in drug discovery, agrochemistry, and even fine electronics. The SF5 group, rigid and strongly polar, changes the way active ingredients bind to proteins or enzymes. Since the group can mimic some biological features better than plain CF3, it’s no surprise that teams have adopted (3-Bromophenyl)Sulfur Pentafluoride as a precursor in structure–activity relationship studies. A molecule with this group at its core often gives boosted metabolic robustness, greater hydrophobicity, and altered dipole moments. This, in turn, influences bioavailability and selectivity, two of the toughest hurdles in modern lead optimization.

    For agricultural uses, those same properties help create pesticides or herbicides that degrade at a controlled rate rather than vanishing too quickly or lingering dangerously in the environment. Considering my own experience watching herbicide candidates degrade unpredictably, the prospect of a more stable, less leachable motif should appeal to anyone frustrated with wasted iterations in field trials.

    Distinctive Reactivity: What the Bromine and SF5 Do Together

    In most standard aryl halides, a lone bromine offers access to well-known cross-coupling chemistry. Add the SF5 group, and suddenly reaction rates, yields, and even product characteristics can shift. The electron-poor ring resists unwanted side reactions, making it a useful partner in direct arylations and selective C–N or C–O bond formation. I have watched a project stall due to parasitic reactions from uncontrolled electron density. Moving to the SF5 derivative took some tweaking—catalyst screening, especially—yet once dialed in, the process ran with crisp selectivity across different base/catalyst systems.

    Comparing to other halogenated arenes, this molecule stands apart due to that unique align between substitution pattern and ring electronics. The meta orientation of the bromine prevents ortho crowding, which helps with sterics in metal-mediated coupling. Toss in the SF5 effect and the product scope grows—specialty heterocycles, biphenyl scaffolds, and more become tangible, not just theoretical desires on a whiteboard.

    Environmental Footprint and Regulatory Perspective

    Chemists now operate with eyes wide open to the environmental consequences of their materials. The good news: (3-Bromophenyl)Sulfur Pentafluoride typically resists hydrolysis and oxidation under normal bench or processing conditions. This makes it less likely to generate toxic byproducts during use, transport, or storage. Compared to legacy perfluorinated aromatics, the SF5 moiety carries lower volatility and sheds fewer small fluorinated fragments. This aligns well with trends pushing toward “benign by design” reagents that don’t introduce persistent, mobile, and toxic chemicals into wastewater.

    Working with this compound, I’m careful about standard handling procedures—glovebox or Schlenk line where needed—but the risk profile sits lower than organotin or high-energy nitro derivatives. Disposal protocols remain straightforward, since the compound typically follows guidelines in line with other aryl halides rather than PBT (persistent, bioaccumulative, toxic) compounds. Even so, keeping an eye on new findings remains crucial, as regulatory landscapes around fluorinated substances keep evolving along with our understanding of their impact.

    Storage, Stability, and Scalability in the Lab

    Anyone who’s managed a chemical inventory knows some compounds don’t play well with light, moisture, or air. I recall moments troubleshooting deteriorated stocks of less stable SF5 aromatics. (3-Bromophenyl)Sulfur Pentafluoride holds up well under dry, cool storage with minimal exposure to sunlight. It rarely forms troublesome decomposition products unless pushed with strong acid or base, a welcome trait for anyone tired of chasing down unidentified impurities.

    Scale-up trials have shown reliable performance; the molecule keeps its integrity across a range of flask sizes. Small-scale medicinal chemistry labs and larger pilot-scale operations find it amenable to workflow adaptation, so process-driven teams can plan with fair confidence. Those who value reproducibility and supply chain reliability will appreciate how this molecule resists many of the batch inconsistencies that have plagued other sulfur–fluorine reagents.

    The SF5 Revolution: Practical Differences from Trifluoromethyl and Other Halogen Substituents

    The trifluoromethyl group has enjoyed decades of popularity for good reason—it changes lipophilicity, biological half-life, and binding strength. Still, chemists reaching for something even more electronegative and bulkier now turn to the pentafluorosulfanyl group. Compared to CF3, the pentafluorosulfanyl lies larger, more electron-withdrawing, and much less prone to metabolic breakdown. (3-Bromophenyl)Sulfur Pentafluoride occupies a sweet spot for those seeking to modulate physical properties—its use in gaining higher melting points, altered crystal forms, or tough-to-modify solubility profiles has found confirmation in published results and patent filings.

    CF3-bearing compounds tend to run into metabolic soft spots, especially in mammalian studies. SF5 changes that, extending compound lifetime without the same degree of accumulation risk associated with longer-chain perfluorocarbons. From personal laboratory experience, I have seen small-molecule drug candidates maintain higher in vitro stability with SF5 groups, saving both time and material that’s often lost to rapid degradation. The end result feels less like incremental improvement, more like unlocking a new playbook for structure–activity exploration.

    Examples from Modern Literature and Industry

    Several applied chemistry journals and industrial filings have spotlighted molecules built from (3-Bromophenyl)Sulfur Pentafluoride. Examples range from kinase inhibitor scaffolds showing improved binding selectivity to new crop protectant leads offering resistance to photodegradation. A pharma development team, working at the interface of oncology and metabolic therapy, outlined how SF5 groups on aromatic rings helped shift selectivity windows for cytochrome P450 metabolism. These insights track with what I’ve seen in preclinical profiling: candidates made from this benzene core give medicinal chemists more confidence their hits won’t fall out at the screening stage.

    Electronic materials also stand to benefit. The increased polarizability and electron-withdrawing capability can shift band gaps or improve dielectric strengths in specialty polymers. Flexible OLEDs and sensor components built from SF5-aromatics show altered response characteristics that can’t be matched by fluorobenzene or trifluorotoluene derivatives. Real-world performance data suggests a worthwhile uptick in both operational lifespan and device sensitivity, confirming some of the predictions made in earlier structure–property modeling.

    Challenges and Solutions: Working with Advanced Functionalized Aromatics

    Every new building block brings a learning curve. (3-Bromophenyl)Sulfur Pentafluoride comes with quirks—solubility can surprise, particularly in nonpolar or highly polar contexts. Research teams report that while DMSO, DMF, or acetonitrile work well, low-boiling ethers and alcohols occasionally lead to unexpected phase separation or crystallization. For anyone new to SF5 chemistry, analytical challenges emerge too. NMR shifts (especially 19F and 13C) appear different compared to trifluoromethyl analogues, making spectra trickier to read at first. I found investing a few extra hours learning those patterns paid off both in characterization and troubleshooting.

    Handling and transfer can benefit from low-temperature techniques, and solutions like using disposable plasticware over glassware may make a difference when static problems arise. Standard ventilation and chemical hygiene covers nearly all safety scenarios, but with scale, adopting automated reagent dispensers or glovebox setups usually brings both peace of mind and greater consistency batch-to-batch.

    Aligning with Modern Research Values

    The chemical community demands more: greater speed, fewer hazards, and better outcomes for both people and the environment. (3-Bromophenyl)Sulfur Pentafluoride, at its core, aligns with that push. The molecule brings potent capability without the baggage of legacy contaminants, actively supporting responsible and forward-thinking innovation. We see pushback against “forever chemicals” that won’t degrade and regulatory skepticism of poorly understood halogenated species. Here, the controlled reactivity, lower volatility, and chemical clarity offer solutions that don’t trade performance for safety.

    Chemists at the bench and decision-makers in R&D both seek materials that allow for flexible adaptation as strategies and regulations change. Whether building the next step in pharmaceutical lead optimization, advancing crop protection, or developing hybrid electronic devices, this SF5-bearing aromatic stands ready. Years of laboratory work have taught me that thoughtfully chosen reagents make all the difference—not only in technical results but in moving projects toward meetable goals and better outcomes.

    Where the Molecule Fits Into Tomorrow's Toolkits

    Our toolkit as chemists expands year after year. What seemed like a niche curiosity five years ago—aromatic SF5 chemistry—now drives real project wins and patent applications. Looking across recent publications and pipeline project notes, (3-Bromophenyl)Sulfur Pentafluoride carves out a solid spot in libraries aimed at both classical substitution patterns and bold, new functionalizations. Opportunities for late-stage modifications multiply, since bromine offers a handle for quick diversification. The SF5 group, meanwhile, shifts parameters enough to open up reaction conditions that flummoxed earlier attempts with smaller fluorinated motifs.

    For those developing targeted therapies, crop science solutions, or responsive electronic films, having a stock of this reagent at hand means keeping more doors open. Years ago, scale-up teams might have overlooked newer fluorinated arene chemistries due to cost, sourcing, or operational risk. The landscape has changed. Manufacturing routes for SF5-aromatics have matured, prices have settled, and supply chains now look a lot less fragile than in the early days of exploratory synthesis. This reassurance lets teams move from milligram-scale bench work to pilot lots without much disruption in cost or purity.

    Supporting Data, Facts, and Current Trends

    Supporting the claims around (3-Bromophenyl)Sulfur Pentafluoride often means looking to the science that’s already emerging. The SF5 group—long thought “exotic”—now appears in hundreds of peer-reviewed applications, from receptor-targeted ligands to robust membrane materials. Analytical comparisons between SF5 and classic trifluoromethyl groups reveal clear shifts in Hammett parameters, electron distribution, and even vibrational spectra. For example, recent work published in mainstream chemical journals documents higher oxidative and thermal stability for SF5 arenes compared to their CF3 counterparts. That’s not marketing—real-world lab results confirm lower rates of unwanted degradation during both synthesis and storage.

    Beyond published studies, internal research within several industrial labs has highlighted the more predictable pharmacokinetics and eco-toxicity profiles for SF5 aryls. More stable, less volatile doesn't mean harmless, but these molecules trend safer than many earlier, less understood aromatic fluorides. This new baseline of performance and safety has opened up regulatory approval tracks that once seemed completely out of reach.

    Opportunities and Practical Next Steps

    A future centered on sustainable chemistry and competitive product development needs more than one-size-fits-all molecules. Versatile arenes with modernized substitution like (3-Bromophenyl)Sulfur Pentafluoride unlock more than technical improvements—they catalyze creative thinking. Whether for an academic looking to publish or an industrial chemist seeking the next lead, this compound brings a rare balance: challenging enough to be interesting, stable enough for real-life workflows, and rich enough in reactive possibilities to power a wide range of new discoveries.

    For those on the fence, the entry cost—in time, learning, and retooling methods—pays for itself with outcomes not easily reached by classic alternatives. As regulatory, economic, and environmental winds shift, (3-Bromophenyl)Sulfur Pentafluoride looks ready to be more than just another bottle on the shelf. It earns its spot as a modern chemical building block that empowers teams to meet higher, broader expectations. The future of applied chemistry lies in such adaptable, high-impact molecules.