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5-Trifluoromethyl-3-Bromobenzonitrile

    • Product Name 5-Trifluoromethyl-3-Bromobenzonitrile
    • Alias 3-Bromo-5-(trifluoromethyl)benzonitrile
    • Einecs 628-232-0
    • 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

    387520

    Productname 5-Trifluoromethyl-3-Bromobenzonitrile
    Casnumber 862151-25-1
    Molecularformula C8H3BrF3N
    Molecularweight 248.02
    Appearance White to off-white solid
    Meltingpoint 55-58°C
    Density 1.68 g/cm³ (estimated)
    Purity Typically >98%
    Solubility Slightly soluble in organic solvents (e.g., DMSO, DMF)
    Smiles N#Cc1cc(Br)cc(C(F)(F)F)c1
    Inchi InChI=1S/C8H3BrF3N/c9-6-2-5(4-13)1-7(3-6)8(10,11)12
    Flashpoint >110°C (estimated)

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    More Introduction

    Discovering the Role of 5-Trifluoromethyl-3-Bromobenzonitrile in Today’s Chemical Landscape

    Getting to Know 5-Trifluoromethyl-3-Bromobenzonitrile

    Most people who spend time in a chemical lab come to appreciate certain building blocks that show up again and again. One of these is 5-Trifluoromethyl-3-Bromobenzonitrile. The name sounds intimidating, but this compound stands for real flexibility and reliability in the way it behaves during synthesis work.

    With a structure that features a trifluoromethyl group, a bromine atom, and a nitrile group on a benzene ring, this product gives chemists extra tools for making molecules that need both reactivity and control. The model most often referenced in commercial and academic labs follows the chemical formula C8H3BrF3N, which really tells the story of its unique set of properties. It’s not just why this compound ends up as a favorite at the bench, but how its chemical attributes bring something special to a range of synthetic pathways.

    Why the Structure Matters in Reaction Design

    Decisions on which intermediates to use don’t come down to picking just any substituted benzonitrile. Each functional group on the ring changes the whole molecule’s character. For instance, placing a bromine atom next to the nitrile in the third position ups the reactivity in those carbon-halogen bonds. Experienced chemists see this as a doorway to many cross-coupling options. Suzuki, Stille, and Sonogashira couplings go a lot further with a well-placed bromine.

    On top of that, the trifluoromethyl group adds more than just mass. It changes the electron cloud on the ring, often making the compound less reactive in some positions but much more selective in others. As someone who’s spent days troubleshooting failed reactions, I recognize the value in this single group for steering chemistry in the right direction. Ignore the details, and you find yourself reworking your pathway for weeks. Pay attention, and you have a shot at creating new scaffolds for more important molecules, especially in pharmaceutical and materials research.

    Differences That Make a Difference

    People sometimes confuse 5-Trifluoromethyl-3-Bromobenzonitrile with other benzonitrile compounds. The trick is in the location and type of the substituents. Take 2-bromo-4-trifluoromethylbenzonitrile or 3,5-dibromobenzonitrile; both look similar to a casual eye, but what really matters is how those groups push or pull on electrons, shifting the molecule’s chemical behavior.

    Each substitution pattern affects the acidity, the way the ring reacts with nucleophiles and electrophiles, and sets up reaction partners differently for downstream chemistry. Skip the specifics, and you risk reactions going sluggish or side-products crowding your mix. In structure-based drug design, for example, this control can mean getting cleaner hits or losing weeks sifting through unwanted analogs.

    Common Uses in Applied Chemistry

    From a hands-on standpoint, 5-Trifluoromethyl-3-Bromobenzonitrile finds its real use in a couple of areas. The first is intermediate synthesis in research-scale pharmaceutical and agrochemical targets. It often pops up as a mid-stage “springboard,” allowing fast morphing into other functionalized arenes. Whether it’s installing amines, boronic acids, or other custom groups, this substrate shortens the gap to the final product by offering selectivity and good leaving-group behavior.

    The second big use shows up in material science. Structure-activity relationships in organic light-emitting diodes (OLEDs) and advanced polymers depend on having fluorine and bromine atoms in precise locations. Add the nitrile group, and you have ways to engage in multistep synthesis with reliable outcomes. The compound’s solubility, melting point, and handling characteristics give bench chemists fewer headaches compared to some more stubborn intermediates.

    Real-World Performance: Bench Experience Speaks

    Personal experience tells me that dealing with 5-Trifluoromethyl-3-Bromobenzonitrile is much less stressful than more reactive or air-sensitive alternatives. The crystalline powder handles atmospheric exposure well and doesn’t gum up glassware. In chromatography, the polarity is just right for predictable separations using simple silica columns or reverse phase setups. Many labs keep it on hand because the storage is straightforward and shelf-life stretches longer than less stable compounds.

    Handling safety can’t be left out. The trifluoromethyl and nitrile features reduce volatility, which lowers inhalation risks compared to lighter aromatics. Handling protocols—nitrile gloves, goggles, and work in a fume hood—don’t push beyond what’s standard for most organic compounds. Compare this with more hazardous arenes or acyl halides, and you see why bench chemists gravitate toward this option.

    Supporting Efficiency in Synthesis Planning

    Efficient synthetic design means knowing what building blocks give you a leg up. The bromine allows swapping for a huge array of other functionalities through simple transition-metal catalysis. For example, coupling with boronic acids puts custom aryl groups on the ring. The trifluoromethyl group bribes nature by adding lipophilicity and metabolic stability—two points highly prized in drug candidates and advanced functional materials.

    Planning a synthesis with this compound in hand often means fewer steps and greater overall yields. The selectivity is better than competing pathways using more basic benzonitriles. For those in medicinal chemistry, the unique substitution means fewer structural isomers to separate and characterize, saving a ton of time on chromatography and analytical trouble.

    Addressing Sourcing and Purity Challenges

    A big hurdle for synthetic chemists is availability and purity. With demand rising in both research and commercial settings, supply chain consistency turns into a real topic of conversation. Quality batches of 5-Trifluoromethyl-3-Bromobenzonitrile come with well-defined melting points and the absence of major isomeric or halogenated impurities. I remember occasions where a batch below par set projects back by days or weeks—not for lack of skill, but because tiny impurities sabotaged critical steps down the line.

    Best practices for procurement rely on trustworthy vendors and a commitment to batch testing. Labs that skip these checks pay the price in failed reactions and ambiguous analytical results. It’s worth working with suppliers that can back up claims with NMR, LC-MS, and GC analysis data. Peer-reviewed evidence supports consistent sourcing as one of the top contributors to reproducibility in chemical research; poor quality chemicals seed the kind of uncertainty that academic and industrial programs both try to avoid.

    Why Not Settle for Other Benzonitriles?

    On the surface, many benzonitriles look interchangeable. But each structural change works as a lever. Run a Suzuki coupling on a plain 3-bromobenzonitrile, and the selectivity or subsequent function is just not on the same level as with this trifluoromethylated version. Directing effects from trifluoromethyl groups avoid side reactions that chew up time, starting materials, and sometimes months on the calendar. For any lab aiming for reliable, rapid iteration on functionalized arenes, this difference is practical, not academic.

    In process chemistry, minimizing the number of post-reaction cleanups often comes down to using substrates that fit each transformation like a glove. There’s little patience these days for tedious workups, especially in commercial settings watching overhead costs. 5-Trifluoromethyl-3-Bromobenzonitrile streamlines the route, leading to cleaner conversions and easier product isolation, which echoes in higher throughput and better margins.

    Opportunities for Greener Chemistry

    As the world pays closer attention to sustainable practices, choosing building blocks with the potential for fewer steps, less toxic byproducts, and higher atom economy lines up with green chemistry’s basic aims. The unique reactivity pattern of this benzonitrile means fewer protection and deprotection tricks, limiting the solvent waste and excess reagents. My own experience has shown that careful substrate selection early in a project saves not just time, but energy costs and disposal fees that add up quickly.

    Analytical methods increasingly support low-impact synthesis by letting chemists monitor reactions more closely. Using high-resolution LC-MS, for instance, teams have shown higher conversion rates and lower waste streams when starting with efficient intermediates like 5-Trifluoromethyl-3-Bromobenzonitrile. With regulatory expectations rising, labs gain a compliance edge by sticking with well-characterized, lower impact intermediates that simplify reporting and auditing.

    Bringing New Molecules Into Focus

    Each breakthrough in pharmaceutical chemistry uses old and new intermediates in smarter combinations. The trifluoromethyl group keeps showing up in success stories for drugs hitting clinical trials, adding bioactivity and stability at the same time. There’s plenty of literature supporting this, especially in oncology and central nervous system drugs, where ring substitution patterns can mean the difference between targeting a receptor or missing the biological “lock” entirely.

    What struck me during team meetings was how a single change in the intermediate—like swapping in 5-Trifluoromethyl-3-Bromobenzonitrile—opened pathways to analogs we hadn’t considered. Key opinion leaders in medicinal chemistry point to this compound’s use as a way to rapidly generate chemical libraries, expanding the pool of potential leads in a cost-efficient way. Labs hunting for hits can’t afford to work their way up from basic arenes every time; picking the right intermediate is the difference between a productive year and a wasted one.

    Challenges and Opportunities in Scaling Up

    Transitioning from milligram scale reactions in academic labs to producing kilograms for early-stage trials comes with plenty of headaches. 5-Trifluoromethyl-3-Bromobenzonitrile presents a more manageable profile due to its stability, reasonable cost (compared to more exotic intermediates), and robust handling. Still, the broader industry sees choke points in scalability and price volatility when specialty intermediates spike in demand.

    One angle for improvement could come through continuous-flow synthesis, which has been gathering momentum in the last few years. Using this compound in flow reactions could hold the key to both safer reactions and smoother scale-up. Faster heat transfer and contained reaction volumes align with the need for high-quality batches at larger volumes. Industry insiders agree that greener, safer, and more reproducible methods only become real when wrapped around smartly-chosen building blocks like this one.

    Navigating the Regulatory Environment

    Research teams and producers face new scrutiny from regulatory agencies with every wave of new chemicals and intermediates entering the market. Having proven reliability in sourcing and documentation turns into more than just a paperwork exercise. Credentials in Good Manufacturing Practice (GMP) and standards like ISO 9001 start to play bigger roles as companies seek new therapeutic pipelines.

    What stands out for 5-Trifluoromethyl-3-Bromobenzonitrile is an established track record for both analytical characterization and traceability. Analytical chemists spend less time chasing mystery peaks, which supports regulatory filings and quality assurance needs. Time is money, especially where phase I and II trial materials need batch-by-batch documentation with solid analytical backing.

    Future Perspectives: More Than Just a Standalone Intermediate

    The value in this aryl nitrile isn’t just what it delivers today but where it could take us next. In smart materials, trifluoromethyl-benzonitrile frameworks lay the foundation for new organic semiconductors, optoelectronics, and sensing platforms. Peer-reviewed studies on fluorinated arenes keep turning up novel properties—like high dielectric constants, unique charge-transfer behaviors, and low cross-talk in OLED applications.

    In pharmaceutical discovery, adding trifluoromethyl and bromine groups gives medicinal chemists more options for tuning metabolic profiles and side-effect windows. With the pipeline for new compounds growing more complex, especially with increased attention to rare or “undruggable” targets, each building block with reliable chemistry adds practical value.

    Improving Access and Usability: Turning Challenges Into Advantages

    One of the big lessons from years spent in lab settings is that progress depends on clear and open lines between suppliers and research groups. For 5-Trifluoromethyl-3-Bromobenzonitrile, troublesome gaps in documentation or slow delivery times create bottlenecks in what would otherwise be smooth projects. Open dialogue with suppliers, along with wider sharing of real-world handling advice, helps build a more responsive supply chain.

    Transparency about origin, lot-to-lot consistency, and impurity profiles can make the difference between a successful synthesis route and a dead end. Strong supplier relationships mean researchers spend more time on inventive science, less on headache-inducing troubleshooting or paperwork chases. In my years working alongside purchasing and quality teams, trust in suppliers showed up as one of the strongest predictors of lab productivity and innovation.

    Actionable Solutions for the Field’s Pain Points

    The chemistry world keeps raising the bar in quality, safety, and speed. Tackling the biggest pain points with 5-Trifluoromethyl-3-Bromobenzonitrile comes down to a few key actions:

    Industry and academic labs can both benefit from these steps, building a culture where flexibility and quality walk hand in hand with discovery and efficiency.

    Conclusion: Value Across the Board

    5-Trifluoromethyl-3-Bromobenzonitrile has carved out a unique, practical role for itself in modern synthetic and applied chemistry. Its blend of selective reactivity, physical robustness, and adaptability sets it apart from similar chemicals. Choosing well-characterized, reliable intermediates opens new doors for innovation—whether it’s the next drug discovery breakthrough, the next leap in advanced materials, or just another well-run project on a tight timeline. Those who learn its nuances, build bridges with quality suppliers, and keep up with best practices will set themselves up for steady progress in the lab and beyond.