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2-Bromo-5-Methylbenzonitrile

    • Product Name 2-Bromo-5-Methylbenzonitrile
    • Alias 5-Methyl-2-bromobenzonitrile
    • Einecs 613-039-9
    • 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

    667594

    Cas Number 349-80-8
    Molecular Formula C8H6BrN
    Molecular Weight 196.05 g/mol
    Iupac Name 2-bromo-5-methylbenzonitrile
    Appearance White to off-white solid
    Melting Point 44-48°C
    Boiling Point 261°C
    Density 1.50 g/cm³
    Smiles CC1=CC(=C(C=C1)Br)C#N
    Inchi InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
    Solubility Slightly soluble in water; soluble in organic solvents
    Purity Typically ≥98%

    As an accredited 2-Bromo-5-Methylbenzonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

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    Application of 2-Bromo-5-Methylbenzonitrile

    Applications of 2-Bromo-5-Methylbenzonitrile in Industrial Manufacturing

    As a direct manufacturer, we supply 2-Bromo-5-Methylbenzonitrile (2B5MBN) to partners active in highly specialized sectors that utilize halogenated benzene intermediates. This material serves as a crucial building block in advanced organic synthesis. Below, we detail the primary industrial applications, highlighting formulation knowledge, specific processing input, regulatory benchmarks, and the main finished product types found in the market.

    1. Pharmaceutical Intermediate for Active Pharmaceutical Ingredient (API) Synthesis

    Many pharmaceutical manufacturers employ 2-Bromo-5-Methylbenzonitrile in the targeted synthesis of certain APIs, especially within new-generation antihypertensive and oncology compounds. Its controlled reactivity profile facilitates downstream chemical transformations such as Suzuki coupling, direct amination, or reductive substitutions, granting API researchers precise options for constructing complex molecular frameworks while maintaining batch-to-batch consistency under GMP constraints.

    Industry compliance standards

    • Good Manufacturing Practice (GMP, ICH Q7)
    • European Pharmacopoeia (Ph. Eur.) for API process intake
    • US FDA 21 CFR Parts 210/211
    • China Pharmacopoeia (ChP): raw material traceability

    Typical usage ratio

    • 0.8–1.2 molar equivalents relative to the target API framework; adjustments depend on specific route of synthesis and yields in intermediate coupling steps.

    Downstream process integration

    • Material enters the synthetic pathway at early to mid-stage as an aryl bromide substrate, followed by functional group conversion (e.g., cross-coupling or cyanation). Utilized in GMP-compliant reactors with in-process control. Impurities controlled per pharmacopoeia.

    Final product types

    • Oncology APIs (e.g., kinase inhibitor precursors)
    • Antihypertensive agent intermediates
    • Specialty research-grade small molecules
    • Clinical trial material batches

    2. Agrochemical Intermediate for Pyridine and Benzonitrile-based Crop Protection Agents

    Producers of modern crop protection agents integrate this material as a key aromatic intermediate for synthesizing select pyridine, pyrazole, and benzonitrile herbicides and fungicides. Specific bromine and methyl substitutions assist in regulating molecule polarity and reactivity, essential to achieving crop selectivity and residual performance in field applications.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • ISO 9001-certified production
    • REACH Regulation (EC No 1907/2006) for intermediates
    • Global GAP for raw material intake traceability

    Typical usage ratio

    • 0.7–1.5 molar equivalents in the synthesis module, set according to downstream agent’s structure, with excess minimized by process optimization and recyclability of unreacted halides.

    Downstream process integration

    • Feeds directly into controlled nucleophilic substitution or coupling stages in multi-step herbicide and fungicide synthesis, typically under anhydrous, inert atmosphere conditions. Employed in jacketed glass-lined reactors; reactions monitored for complete bromine consumption.

    Final product types

    • Selective pre- and post-emergent herbicides
    • Pyridine-based systemic fungicides
    • Custom agrochemical R&D intermediates
    • Benzonitrile insecticide substructures

    3. Specialty Chemicals for Liquid Crystal Display (LCD) Material Manufacturing

    Downstream specialty chemical companies use 2-Bromo-5-Methylbenzonitrile in synthesizing high-purity aromatic cores and intermediates for advanced liquid crystal compounds, essential in modern display technologies. Its exact ring substitution patterns contribute to anisotropic dielectric properties, yielding tunable liquid crystal hosts for display panels with stringent optical performance criteria.

    Industry compliance standards

    • IEC 61747-1: LCD component standards
    • ISO 9001:2015 for electronic chemical quality
    • RoHS Directive 2011/65/EU compliance
    • OEM-specific electronic grade purity documentation

    Typical usage ratio

    • 0.2–0.6 molar equivalents per target liquid crystal intermediate; accurate ratio designed for stepwise aromatic substitution, with tight impurity specifications (<50 ppm metal contamination).

    Downstream process integration

    • Material used as a core building block during Friedel-Crafts or nucleophilic aromatic substitution, followed by integration with alkyl or alkoxy chains. Process conducted under high vacuum and with continuous in-line monitoring for residual bromine and nitrile purity.

    Final product types

    • Liquid crystal monomers and mixtures for TFT-LCD displays
    • Intermediate aromatic cores for OLED matrices
    • Nematic and smectic liquid crystal blends for optical devices
    • Specialty display alignment reagents

    4. Fine Chemicals for Dye and Pigment Synthesis

    Producers of high-performance organic dyes and effect pigments incorporate this halogenated nitrile as an intermediate for synthesizing benzene-based chromophores and azo pigment anchors. The material allows precise introduction of substitution at defined ring positions, critical for adjusting absorption maxima, fastness properties, and solubility required in technical coloration applications, especially for high-value polymer and electronic printing uses.

    Industry compliance standards

    • ISO 9001-certified pigment processing
    • EN 71-3:2019 for pigment safety (where applicable on end use)
    • REACH Annex IV-V substances (registration exemption for intermediates)
    • ETAD guidance for pigment purity and trace heavy metals

    Typical usage ratio

    • 0.5–1.3 equiv, tailored for individual dye synthesis batches; optimal balance determined via color strength and conversion yield, considering minimal formation of side products.

    Downstream process integration

    • Introduced during ring coupling or bromination steps, followed by cyclization or azo coupling to assemble chromogenic systems. Used in batch and continuous flow setups; dissolved under controlled temperature and pH for subsequent reaction with pigment precursor amines.

    Final product types

    • Benzonitrile-based azo and anthraquinone dyes
    • High-stability pigments for engineering plastics
    • Specialty dyes for inkjet and textile printing
    • Color filter dyes in electronic applications
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    More Introduction

    Introducing 2-Bromo-5-Methylbenzonitrile: Experience in Chemistry Meets Practical Demand

    A Compound Shaped by Precision

    Seeing a bottle labeled 2-Bromo-5-Methylbenzonitrile on the shelf, a chemist knows right away this compound sits way beyond the basics. Its formula, C8H6BrN, might sound technical, but what it delivers on the lab bench is no mystery. This organic intermediate stands out for its clean performance, speaking directly to years of real lab work where purity and reaction predictability make the difference between wasted time and breakthrough synthesis. Instead of relying on generic halogenated benzonitriles, reaching for a bottle of 2-Bromo-5-Methylbenzonitrile means aiming for consistent results and aiming at targets that less specialized reagents often miss.

    Physical Profile: What Sets It Apart

    This compound typically crystallizes into white to off-white powders, a small detail that saves headaches on identification and weighing. Distinct from its close cousins, like 2-Bromobenzonitrile or 4-Methylbenzonitrile, its molecular structure carries both a methyl group and a bromine atom at precise positions. The methyl at the 5-position and bromine at the 2-position don’t randomly end up there; they’re put there because chemists looking for specific reactivity demand that placement. Handling the compound, you’ll notice the weight is just right for fine-scale work—enough density to measure aliquots without dustiness, yet soluble in most standard organic solvents, which means fewer surprises during reaction set-up.

    Real-World Use: Synthesis That Matters

    Ask any synthetic chemist hunting for elusive pharmaceutical candidates or custom agrochemicals, and they’ll tell you how crucial selectivity becomes. 2-Bromo-5-Methylbenzonitrile brings a reactive bromine atom ready for coupling, but not so eager it throws off unwanted side products. This balance gets exploited in Suzuki-Miyaura, Heck, or Buchwald–Hartwig cross-coupling reactions, where having the right bromo-substituted aromatic means everything. Watching a reaction proceed as planned—clean yields, predictable byproducts—is satisfying. Reliable building blocks like this take influence from classic benzonitriles, while sidestepping the issues that ruin reactions using less carefully substituted analogues.

    Comparisons: What Makes This Benzonitrile Unique?

    Lab work has seen a parade of benzonitrile derivatives. Early work with unsubstituted benzonitrile gave products quickly, but rarely with selectivity needed for newer syntheses. Swapping hydrogen for bromine added reactivity, yet sometimes required more control than basic bromobenzonitriles could provide. Inserting a methyl group allowed chemists to fine-tune electronic properties, impact boiling point, and play with solubility—all targets in advanced molecular design.

    2-Bromo-5-Methylbenzonitrile carves its niche here. It lets researchers explore ring activation, block ortho or para substitution, or even serve as a handle for regioselective transformations. Where 4-bromobenzonitrile or simpler derivatives fall short, methyl and bromine’s combination can shift reaction outcomes toward more desirable products. Experimental setups that once yielded a mix of isomers or stubborn byproducts reach cleaner endpoints. The difference may sound subtle, but in medicinal chemistry and material science, controlling small details sets apart world-class work from routine synthesis.

    Why This Compound Matters in the Bigger Picture

    Chemical research doesn’t run on autopilot. Choices made in building blocks ripple forward through weeks—sometimes months—of effort. One misstep in the aromatic backbone can dissolve hours of investment, especially in tight timelines for drug discovery or scale-up for high-value materials. My own time spent screening for new anti-inflammatory compounds taught me fast: using a derivative with an extra methyl or halogen could spell either breakthrough or frustration.

    Benzonitriles gain their edge by offering a cyano group, which brings rigidity and opens the door to further functionalization with minimal fuss. Switch in a bromine at the right spot, and cross-coupling chemistry grows far more flexible. The methyl at 5 further refines electronic effects, letting reactions run cleaner, helping products crystallize purer, and shifting melting points or solubility curves just enough to matter in purification. This means that compounds designed for medicinal chemistry, organic semiconductors, or advanced dyes can all benefit, whether run in a small-scale bench experiment or scaled up for early-stage industrial processes.

    Practical Differences: Beyond the Datasheet

    In everyday research, the theoretical advantages listed in catalogues need to show up in real experiments. 2-Bromo-5-Methylbenzonitrile stands out not by headline numbers but by delivering consistent batches with minimal batch-to-batch variability. Stories in the lab include troubleshooting purification, dealing with mysterious byproducts, or chasing down documentation discrepancies from bulk suppliers. Switching to a sample with documented synthesis route and reliable high purity (98% or above from reputable labs) makes a visible difference. NMR signals appear crisp, melting points fall where expected, and reaction yields gain a small but vital bump.

    Divergence from common analogues gets accentuated in custom syntheses. A reaction designed for 4-bromo substituents might show poor conversion with less active isnomers or missing methyl groups. In the lab, I’ve watched graduate students swap in 2-Bromo-5-Methylbenzonitrile and see not only improved yields, but also easier clean-up. These details sound minor, but they mean real progress when a challenging route gets shifted from 30% isolated yield to over 60% with a simple change of starting material.

    Industry Adoption: Evidence from the Field

    Major pharmaceutical and chemical companies publish procedures openly where 2-Bromo-5-Methylbenzonitrile offers unique synthetic handles or blocks. Take, for instance, the creation of custom kinase inhibitors, where specificity often comes down to a thoughtful choice of substitutions on the aromatic ring. Academic groups reporting novel dye materials rely on stable and predicable starting materials, citing 2-Bromo-5-Methylbenzonitrile as a key upstream component.

    A Challenge: Purity and Documentation

    High-performance labs run into trouble when starting materials lack proper verification. With benzonitriles in particular, even tiny contamination from isomers or halogen exchange complicates both analysis and downstream applications. One batch of product with <0.5% organic impurities can send an HPLC trace from sharp to unreadable or throw off a key reaction step. Here, documentation in the form of NMR, IR, and GC-MS traces matters, not as a regulatory checkbox but as a safeguard for project timelines and results.

    I’ve fielded panicked calls from colleagues stuck mid-synthesis needing to verify the traceability of their brominated intermediates. The transparency around typical analytical data, melting points falling within the expected 69-72°C zone, and what solvents have been tested for recrystallization prove vital. Sharing expertise—peer to peer—on best vendors and quality assurances cuts through months of uncertainty.

    Supporting the Community: Lessons Learned

    Teams in synthetic chemistry depend on supplies that won’t set off alarms in downstream processing. Lessons from years of trial and error point to sticking with suppliers who recognize these stakes. Documented product history and evidence of careful synthesis win out every time. Too many promising projects stall chasing down odd melting points or clouds in NMR tubes caused by forgotten or misassigned impurities. Among the many brominated benzonitriles, those with transparent provenance stand out, and 2-Bromo-5-Methylbenzonitrile sourced from certified production runs gains its reputation through this consistency.

    Potential Solutions: Improving Access and Reliability

    Pain points in chemical sourcing stem from both availability and information gaps. More open sharing of full analytical data across vendors would eliminate much of the traceability guesswork. Community-driven reviews, peer-verified supplier lists, and open-access repositories of spectra support researchers reluctant to trust unvetted options. Moving beyond just requiring purity percentages and striving for detailed breakdowns on impurity profiles could set a new bar for specialty benzonitriles. A centralized, curated database listing reputable batches and user experiences would let newcomers avoid pitfalls well known in experienced circles.

    On the production side, prioritizing green chemistry principles during synthesis—lowering solvent waste, minimizing toxic byproducts during halogenation—reflects rising environmental concern in research and industry alike. More vendors openly document efforts to reduce environmental impact, and chemists value these efforts, selecting compounds like 2-Bromo-5-Methylbenzonitrile from sources stating clear environmental commitments. Industry trends already lean into these best practices, and momentum can pick up as purchasing decisions reinforce shared values.

    An Expert’s View: Making the Right Choice

    It’s easy to underestimate the impact of a single aromatic intermediate until its absence or inconsistency grinds progress to a halt. Delivering breakthroughs in pharmaceuticals, materials, or electronics hinges on building blocks that deliver—batch after batch. My network has seen too many projects derailed by lack of attention to these basics. Trusted 2-Bromo-5-Methylbenzonitrile does more than fill a catalog slot; it spreads confidence through a team, allowing researchers to address core challenges rather than troubleshooting their inputs.

    Applications That Count: Beyond the Textbook

    Behind every successful reaction lies a chain of choices. For those pushing boundaries in medicinal chemistry—designing molecules to interact with kinase domains, exploring SAR around fused heterocycles, or tuning electronic properties for improved bioavailability—the subtle differences between benzonitrile derivatives loom large. Teams have published optimized syntheses for anti-cancer compounds taking advantage of the 2-bromo and 5-methyl positions, allowing for smoother derivatization and improved reaction reproducibility. In fluorescent dye research, fine-tuning the emission properties often relies on minor tweaks to the aromatic system, where a bromine and methyl can mean brighter, more stable output. These aren’t just isolated anecdotes; they show up in published protocols, conference presentations, and group meetings worldwide.

    In polymer and advanced materials, aromatic nitriles provide structural rigidity and serve as scaffolds for further functionalization. Adding a halogen at a particular site not only primes the molecule for additional coupling but also adjusts crucial parameters like glass transition temperature or solubility in organic resins. Materials scientists making next-gen display components or specialty rubbers benefit every time a trustworthy intermediate eliminates the noise of inconsistent feedstocks.

    Building on Experience: What Users Actually Need

    Working through a difficult synthesis late at night, reaching for reliable 2-Bromo-5-Methylbenzonitrile brought relief on more than one occasion. Skipping over suppliers with inconsistent records or vague descriptions made all the difference. Facing time pressure or looming project milestones, nobody wants their syntheses held up by uncertain intermediates. Talking shop with colleagues, I repeatedly hear the same story: trusted inputs save time, every time.

    Modern chemistry constantly evolves, and the best results come from combining sharp technical knowledge with practical, lived experience. For many, the right intermediate isn’t just about the lowest cost per gram—it’s about saving weeks of troubleshooting, avoiding project delays, and maintaining confidence in the reproducibility of results. Feedback from users often boils down to clarity in provided analytical data, swift access to technical support, and consistent product performance—points that differentiate market leaders in specialty chemical supply.

    A Final Note: Looking Forward

    2-Bromo-5-Methylbenzonitrile symbolizes the bridge between what’s possible in the chemical literature and what works on the ground. Its synthesis, selection, and continuous improvement reflect decades of iterative problem solving, driving both new discoveries and reliable scale-up processes. For researchers, the right starting material is more than an afterthought—it defines whether the ambitions of a project survive real-world scrutiny. Trusted, thoughtfully sourced 2-Bromo-5-Methylbenzonitrile makes the difference between stalled plans and rapid progress, setting the stage for better, faster scientific breakthroughs.