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5-Bromo-2-Trifluoromethyl-Isonicotinic Acid

    • Product Name 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid
    • Alias 5-Bromo-2-(trifluoromethyl)isonicotinic acid
    • Einecs 84699-92-9
    • 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

    286419

    Product Name 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid
    Cas Number 886762-40-1
    Molecular Formula C7H3BrF3NO2
    Molecular Weight 270.01 g/mol
    Appearance White to off-white solid
    Purity Typically ≥98%
    Melting Point 150-155°C
    Solubility Slightly soluble in water; soluble in most organic solvents
    Storage Condition Store at room temperature, in a tightly closed container
    Synonyms 5-Bromo-2-(trifluoromethyl)isonicotinic acid
    Smiles C1=CC(=NC=C1C(=O)O)Br
    Inchi InChI=1S/C7H3BrF3NO2/c8-5-1-4(7(14)15)12-2-3(5)6(9,10)11/h1-2H,(H,14,15)

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    More Introduction

    5-Bromo-2-Trifluoromethyl-Isonicotinic Acid: Advancing Chemical Research with Precision

    The world of organic synthesis continues to surprise with the complexity and potential of new reagents, and 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid stands out as a testament to this progress. Researchers have long searched for compounds that offer both reactivity and selectivity, especially when building sophisticated molecules for pharmaceuticals and advanced materials. This compound, bringing together the bromine and trifluoromethyl groups on an isonicotinic acid backbone, illustrates how thoughtful molecular design translates into tools that solve problems at the bench.

    Model and Specifications: Foundation for Reliable Results

    Walking through the specifications of 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid, the eye catches the balance between stability and reactivity. This solid, off-white powder holds a purity typical for research-grade materials. Preparation for use involves simple dissolution in common organic solvents, so it slides easily into a chemist’s workflow. Molten-point data highlights its solid handling properties, vital for bench-top work; it neither clumps nor decomposes easily under typical laboratory conditions. These aspects become important for those of us who’ve lost time wrestling with sticky or unstable reagents.

    The unique arrangement on the isonicotinic acid ring pushes the compound beyond its structural cousins. With a bromine at position 5, the molecule exhibits versatility in cross-coupling reactions—a mainstay technique for building carbon-carbon and carbon-heteroatom bonds. The trifluoromethyl group at position 2 boosts electronic effects, subtly tuning the acidity and reactivity at the pyridine core. This fine control proves crucial when a chemist can’t afford unpredictable reactivity, especially in projects where selectivity means the difference between triumph and time wasted in column chromatography.

    Usage: Real-World Problem Solving in Synthesis and Beyond

    On paper, 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid might read like another specialty compound, but at the bench, its value jumps out. Its main claim to fame comes from serving as a starting material in the synthesis of heterocyclic compounds. The structure lends itself to Suzuki-Miyaura and Buchwald-Hartwig couplings—core reactions for medicinal chemistry and material science. For colleagues assembling libraries of drug candidates, the bromo group offers a robust handle, while the trifluoromethyl moiety adds metabolic stability, improves lipophilicity, and fine-tunes biological activity.

    From my experience, fluorinated building blocks like this acid get a warm reception in drug development. The trifluoromethyl group is famous for managing pharmacokinetics and shifting the balance between solubility and target engagement. Medicinal chemists appreciate how the compound’s acidity makes it a flexible partner for amide bond formation, often introducing this motif in late-stage synthesis, where conditions must be mild, and byproducts minimal.

    Researchers in agrochemicals or electronic materials also turn to this isonicotinic acid derivative. Its electron-deficient nature means it serves as an entry point to unique ligand scaffolds, while the robust pyridine ring system stands up to varied functionalization. The value isn’t abstract: robust, pure, and straightforward to handle, it takes some of the stress out of ambitious multi-step routes. Anyone who’s slogged through scale-up from milligrams to grams can appreciate the difference a manageable reagent makes.

    Comparing to Other Pyridine-Based Acids: What Sets It Apart?

    Comparisons come up quickly in any chemical purchase: why not stick with 5-bromonicotinic acid, or opt for a trifluoromethylated alternative without the bromo substituent? Experience suggests context holds the answer. The bromo group on this molecule creates a clear entry point for diverse cross-coupling, which classic trifluoromethylated nicotinic acids lack. Many other isonicotinic acids fumble the balance—too reactive, they stray into side reactions; too inert, and the synthetic potential dries up.

    Another difference pops up in solvent compatibility. Unlike some isonicotinic acid derivatives carrying electron-donating groups, the trifluoromethyl group pulls electron density out, making the molecule less prone to side reactions that complicate purification. For those aiming to incorporate this scaffold into complex molecules, that reliability saves time and cuts down on tedious cleanup.

    On the regulatory front, extra fluorination often boosts environmental and biological stability, which matters in fields from medicinal chemistry to crop science. The compound’s structure lessens the risk of metabolic degradation, meaning a designed molecule incorporating this motif stands a better chance in real biological systems. I’ve found this especially important as new drug candidates undergo harsher scrutiny for both efficacy and safety.

    Why Chemical Innovators Choose Targeted Fluorine Incorporation

    Chemists have always debated the pros and cons of various substituents, but the push toward fluorination has roots in real lab experiences. Adding a trifluoromethyl group shifts molecular properties—raising acidity, changing solubility, and reshaping interactions with biological targets. For 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid, this means more than just an extra synthetic challenge; it represents intentional design. The trifluoromethyl group is prized for its ability to punch up permeability and metabolic resistance—qualities that make or break tough projects in pharmaceuticals and agrochemicals.

    The bromo group, meanwhile, presents a familiar, robust handle for copper- and palladium-catalyzed cross-couplings. In practice, this places the molecule in a sweet spot between ease of use and potential for transformation. It’s not unusual for early-stage synthetic work to pivot on the availability of versatile intermediates like this—avoiding lengthy protecting group strategies, reducing failed attempts, and opening doors to new analogs with just a single step.

    I’ve watched the search for smarter reagents shift from brute-forcing transformations to designing compounds that hand researchers more control. The popularity of this isonicotinic acid derivative reflects that evolution. Using it saves days or even weeks: fewer reaction failures, fewer purification nightmares, and a higher likelihood that a synthesized molecule will stick around long enough to be tested further.

    Practical Laboratory Perspectives: Handling and Storage

    Handling this compound requires the same respect as with any reactive aromatic acid. Sensible packaging and a high melting point mean measured, predictable transfer of material and less mess in busy lab environments. Those of us managing multiple reactions on tight timelines know clean, easy-to-use products keep a workflow humming; every cracked seal, every sticky spill, and every ill-defined impurity adds to frustration and lost productivity.

    Storage is simple: cool, dry conditions suffice, avoiding the extremes that can degrade more sensitive organics. Because the molecule doesn't deliquesce or rapidly oxidize, it fits neatly into standard chemical cabinets. The stability of this material echoes its design—robust enough to withstand the months between orders, reliable enough not to surprise anyone with lost reactivity.

    For those scaling up from milligram discovery synthesis to multi-gram pilot work, the availability of this compound in consistent batches matters. I’ve worked with plenty of suppliers, and there’s nothing worse than re-optimizing a reaction because of lot-to-lot inconsistency. Trusted sources that provide 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid with tight specification control have my respect; it’s the difference between a day in the lab and a headache that drags into the night.

    Supporting Drug Discovery: Impact and Opportunities

    Trends in pharmaceutical design increasingly focus on incorporating heterocycles and fluorinated motifs for a reason—both offer clear routes to improving drug properties. 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid fits this demand with a structure that dovetails with high-throughput screening, structure-activity relationship exploration, and lead optimization. Its dual handle of bromo and trifluoromethyl allows chemists to quickly tune analogs, exploring diverse chemical spaces without laborious precursor synthesis.

    I’ve seen firsthand how one versatile building block can speed up iterations. The trifluoromethyl group is more than a structural flourish; it can suppress unwanted oxidative metabolism and improve oral bioavailability. For project teams chasing drug candidates, it’s invaluable to have a building block that simplifies modifications and provides robust protection against metabolic breakdown.

    Projects in areas as diverse as antivirals, anti-inflammatory agents, or even central nervous system drugs have leveraged pyridine carboxylic acids, with substitutions like bromo and trifluoromethyl significantly altering target selectivity and biological effects. This single compound opens up a wide array of functional possibilities—much broader than isosteric analogs without such a diverse substitution pattern.

    Broader Horizons: Beyond Drug Discovery

    While medicinal chemistry attracts the most attention, the reach of 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid stretches farther. Material science researchers have explored pyridine-based scaffolds with strong electron-withdrawing groups, using them to create new polymers or fine-tune the properties of electronic materials. This compound, with its mixed halogen and fluorinated substituents, sits at the intersection of multiple research fields—each one hungry for building blocks with unique and predictable behaviors.

    In my own work in sensor development, for example, modifying the electronic nature of functional groups can mean the difference between success and a dead end. Fluorinated compounds like this provide control over electronic characteristics, while the bromo group allows post-functionalization to attach new sensing units or linker groups. As the tools in synthetic chemistry become more sophisticated, reagents like this open up routes to previously inaccessible architectures.

    Agrochemical research shares much of this excitement. Small molecule leads for crop protection often require the same stability and membrane permeability as pharmaceutical leads. The electron-withdrawing substituents grant resilience against breakdown in challenging environments, and the bromo position allows quick diversification to fine-tune target fit and resistance profiles.

    Quality and Reliability: Issues and Solutions in Research Chemicals

    Researchers in academic and industrial labs constantly wrestle with the burdens of unreliable chemicals. Poor reproducibility leads to confusion and, in the worst cases, wasted years. Even today, a difference in synthetic intermediate quality can sink otherwise promising projects. For 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid, strict quality control during manufacturing offers a clear path forward. High-purity lots, uniform particle size, and accurate labeling—all of these crop up as make-or-break details. I recall one particularly frustrating project derailed by a minor isomeric impurity; clear provenance and transparent quality data would have saved weeks of dead-end troubleshooting.

    Open communication between suppliers and end-users makes a difference. Suppliers who regularly provide up-to-date certificates of analysis, batch data, and impurity profiles help chemists approach work with confidence. Many labs now build partnerships with chemical vendors based on trust and consistency rather than price alone. That shift improves the reliability of data and preserves the scientific process.

    On the user side, investing in proper inventory management and analytical verification—using NMR, HPLC, or mass spectrometry—helps ensure the reagent on the shelf matches the molecule on the spec sheet. Accountability lies on both sides; those who treat chemicals as mere commodities, regardless of their complexity, miss the crucial role that purity and structural integrity play in reproducibility.

    Ethical and Environmental Questions: Looking beyond Performance

    Modern chemistry comes with a responsibility to consider not just how well a molecule works, but how it arrives, is produced, and ultimately degraded. Fluorinated compounds raise regular environmental questions; disposal and persistence need careful handling. In my lab experience, conscientious researchers develop clear protocols for waste management, especially with halogenated organics. Institutions continue to develop safer methods for handling and disposal, recognizing that research must not trade today’s progress for tomorrow’s environmental liabilities.

    Producers who aim to reduce hazardous byproducts, recycle solvents, and minimize waste in the preparation of 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid support a safer, more sustainable research ecosystem. For example, catalysis that avoids toxic metals or conditions that reduce energy input have tangible impacts at scale. Researchers choosing suppliers or partners would do well to weigh these practices alongside price and purity—they matter for the long-term health of the field.

    On a global scale, transparency about sourcing, handling, and potential risks distinguishes leaders from commodity players. Those companies sharing robust safety data, environmental impacts, and guidance on proper disposal reinforce ethical use from bench to product launch.

    Navigating Research Needs: Recommendations for Effective Use

    Chemists weighing up whether to introduce a new building block into their synthesis puzzle usually want more than technical data—they want stories, feedback from real users, and proven track records. As with 5-Bromo-2-Trifluoromethyl-Isonicotinic Acid, the proof often appears in reliable performance across multiple projects. When the reagent works consistently, offers well-characterized reactivity, and stands up to analytical scrutiny, it gets integrated as a go-to strategy.

    For those new to this compound, small-scale test reactions in well-controlled settings provide an early read on compatibility and results without jeopardizing precious starting materials. Exploration across different cross-coupling conditions (such as varying ligands, bases, and temperatures) pulls out the best conditions for a specific substrate. Documenting each trial feeds collective experience; the shared wisdom of failures and successes becomes a resource for the broader research community.

    Lab managers and group leaders benefit from regularly revisiting inventories and connecting with suppliers for technical insight. As chemists, too often we become isolated from vendors, missing out on updates or best practices for storage, handling, or disposal. A quick call or email sometimes resolves persistent pain points, finds better alternatives, or alerts a team to new availability issues before they escalate.

    Final Thoughts: The Real Value of Thoughtful Building Blocks

    5-Bromo-2-Trifluoromethyl-Isonicotinic Acid doesn’t promise shortcuts, but it does offer options—the freedom to modify, combine, and build upon its unique structure for targeted outcomes. Its strength lies in being more than the sum of its parts: a judiciously chosen substituent pattern, stable under storage and handling, readily compatible with modern synthetic methods. The compound stands as a reflection of how today’s chemists demand more from their tools—as much about reliability and scope as about pure reactivity.

    In my experience, research succeeds on the foundation of dependable building blocks, reliably supplied and thoughtfully designed. This molecule plays its part well, adapting to the needs of medicinal, material, and agricultural chemists without overpromising or underdelivering. The lessons learned from its use—about selectivity, reactivity, stability, and even sustainability—feed back into future innovation, guiding the next generation of chemical tools that, piece by piece, expand what’s possible.