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2-Bromomethyl-4-Cyanobenzoate

    • Product Name 2-Bromomethyl-4-Cyanobenzoate
    • Alias Methyl 2-bromomethyl-4-cyanobenzoate
    • Einecs 684-748-1
    • 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

    365803

    Product Name 2-Bromomethyl-4-Cyanobenzoate
    Molecular Formula C10H6BrNO2
    Molecular Weight 252.07 g/mol
    Cas Number 870718-15-3
    Appearance White to off-white solid
    Purity Typically ≥ 98%
    Melting Point 95-100°C
    Boiling Point No data available (decomposes)
    Solubility Slightly soluble in water; soluble in organic solvents like DMSO, DMF
    Density Approx. 1.6 g/cm³
    Storage Temperature 2-8°C (Refrigerated)
    Smiles Brc1cc(C#N)ccc1COC(=O)
    Inchi InChI=1S/C10H6BrNO2/c11-7-4-8(5-12)2-1-6(7)3-14-10(13)9-5/h1-2,4-5H,3H2
    Hazard Statements Harmful if swallowed or inhaled; Causes skin and eye irritation

    As an accredited 2-Bromomethyl-4-Cyanobenzoate 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-Bromomethyl-4-Cyanobenzoate

    Applications of 2-Bromomethyl-4-Cyanobenzoate in Industrial Manufacturing

    2-Bromomethyl-4-cyanobenzoate serves as a key specialty intermediate in advanced industrial synthesis. Our factory produces this material for several established downstream sectors under strict quality management. Below we outline core application tracks, industrial concentration ranges, regulatory frameworks, formulation details, and terminal products associated with this compound.

    1. Agrochemical Synthesis: Herbicide Active Ingredient Intermediates

    Agrochemical producers deploy 2-Bromomethyl-4-cyanobenzoate to synthesize substituted benzonitrile intermediates used for selective herbicide actives. This intermediate integrates into condensation and ring substitution steps with nucleophiles or secondary amines, often in non-aqueous solvents. Manufacturers control reaction stoichiometry to maximize yield and purity, ensuring compliance for residue limits in food crops. The downstream usage depends on the targeted herbicide composition, with monitoring for side-product formation. Resulting actives undergo further formulation as selective weed management agents for cereals, corn, and non-crop land.

    Industry compliance standards

    • FAO/WHO specification for pesticide technical material
    • European Union Regulation (EC) No 1107/2009 on plant protection products
    • China GB 2763 Maximum Residue Limits for Pesticides in Food
    • ISO 9001:2015 Quality Management System

    Typical usage ratio

    • 0.8–1.2 molar equivalents relative to nucleophile substrate per batch size, determined by the required pesticide formulation

    Downstream process integration

    • Charged in the first condensation step for benzonitrile-based herbicide synthesis
    • Purified from side products before further nitration or hydrolysis steps
    • Monitored through HPLC during the reaction course for conversion rate
    • Packaged for transport to final herbicide formulating divisions

    Final product types

    • Selective pre-emergent herbicides for broadleaf and grass control
    • Benzonitrile herbicide technical concentrates
    • Ready-to-use herbicide granules
    • Herbicidal suspension concentrates

    2. Pharmaceutical Intermediate for Active Pharmaceutical Ingredients (API)

    API manufacturers nominate 2-Bromomethyl-4-cyanobenzoate as a building block for synthesizing advanced pharmaceutical intermediates, particularly in the preparation of aromatic nitrile compounds with antitumor and CNS indications. Batch records specify its addition stage for nucleophilic aromatic substitution, typically in anhydrous DMF under inert atmosphere. Operators ensure correct weighing, trace impurity levels according to pharmacopeial monographs, and audit supply chain identity. This material supports GMP-compliant processes and traceability for downstream API registration files.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU GMP Volume 4 Part II
    • Ph. Eur. 10th Edition monographs for aromatic nitriles
    • Chinese Pharmacopoeia (ChP) 2020 standards

    Typical usage ratio

    • Stoichiometric ratio set at 1:1.1 relative to target reactant, controlled further by process validation during scale-up

    Downstream process integration

    • Introduced during nucleophilic substitution in the synthetic route for advanced nitrile intermediates
    • Subjected to vacuum distillation removal of by-products
    • Purified as a pre-API intermediate using silica gel chromatography
    • Sampled for in-process control tests

    Final product types

    • Antineoplastic agent intermediates
    • CNS-active benzamide derivatives
    • Small-molecule kinase inhibitor APIs
    • Pharmaceutical grade bulk intermediates for contract manufacturing

    3. Specialty Polymer Additive Intermediate

    Manufacturers in specialty polymers leverage this compound to introduce functional aromatic cyano groups via post-polymerization modification or copolymer syntheses. Its halogenated methyl segment offers efficient grafting on aromatic polymer chains in the presence of basic catalysts, supporting the production of heat-resistant engineering plastics. Application teams select solvent systems such as NMP or DMAc to achieve homogenous blending and targeted molecular weight control. The integration step determines final property enhancement for downstream molded parts and specialty films.

    Industry compliance standards

    • ISO 9001:2015 for continuous improvement in polymer compounding
    • REACH Regulation (EC) No 1907/2006 for polymer monomers
    • RoHS Directive 2011/65/EU for restriction of hazardous substances
    • ASTM D7836 for thermoplastic resin additives

    Typical usage ratio

    • 0.2–1.0 wt% based on total monomer charge, depending on target functionalization and polymer backbone

    Downstream process integration

    • Added at monomer pre-mix or post-polymerization modification stage
    • Ensured uniform dispersion to avoid agglomeration and defect sites
    • Participates in melt blending or solution polymerization steps
    • Tested for grafting efficiency with analytical FTIR or NMR methods

    Final product types

    • Heat-stabilized aromatic polyesters and polyamides
    • Functional plastic films with custom barrier properties
    • Modified thermoset matrix composites
    • Engineering resin pellets for automotive applications

    4. Liquid Crystal and OLED Material Precursor

    High-purity electronic material producers apply 2-Bromomethyl-4-cyanobenzoate to construct substituted benzonitrile frameworks for next-generation liquid crystal and organic light-emitting diode (OLED) materials. The compound introduces polar functionality at defined positions within aromatic cores, crucial for electron transport layers and alignment in liquid crystal displays. Facilities conduct multi-step synthesis under cleanroom standards, using advanced column chromatography and HPLC purity checking. Supplier batch documentation ensures traceability for downstream electronics companies’ QA audits and regulatory dossiers.

    Industry compliance standards

    • IEC 61249-2-21 for base materials in electronics
    • RoHS and REACH compliance for dedicated electronics substrates
    • Quality management system: ISO 9001:2015 with traceability requirement
    • JIS C 6120 electronic materials specifications (Japan)

    Typical usage ratio

    • Charged at 1.05–1.15 molar equivalent as core-forming agent in downstream organic synthesis, adjusted as per desired electronic property

    Downstream process integration

    • Supplied as a pre-filtered, ultra-pure batch for microelectronics clean synthesis
    • Employed in functional group introduction during OLED or liquid crystal core building
    • Chromatographically purified, with batch COA matching electronics-grade specifications
    • Managed under full batch recall and traceability protocol

    Final product types

    • Polarizer and alignment films for LCD displays
    • Blue- or green-emitting OLED materials
    • Charge transport layers in advanced TV displays
    • Specialty organic semiconductors for technical devices
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    Certification & Compliance
    More Introduction

    2-Bromomethyl-4-Cyanobenzoate: A Practical Choice for Modern Synthesis

    Expanding the Toolbox for Pharmaceutical and Chemical Research

    Chemists always keep an eye out for new building blocks that make their work smoother and more efficient. One key player gaining real attention lately is 2-Bromomethyl-4-Cyanobenzoate. This compound might sound complex, but its role is straight-up: it helps researchers and industry professionals get to their goals faster, especially in medicinal chemistry and advanced material development. With the molecular formula C9H6BrNO2 and a distinctive structure, it finds a home in carefully planned synthetic schemes where precision matters.

    The Structure Behind the Name

    2-Bromomethyl-4-Cyanobenzoate stands out for its functional groups. The bromomethyl group gives it a reactivity edge, making it handy for substitutions or more elaborate coupling reactions. Chemists looking for versatility in making complex molecules note that having a combination of a cyanide and an ester, both on the aromatic ring, opens up efficient routes toward a wide range of active pharmaceutical ingredients and advanced intermediates. Lab experience continues to show that reliable, multifunctional intermediates like this one often shave days, sometimes weeks, off challenging syntheses.

    Specifications That Make Work Smoother

    This compound comes as a pale yellow to off-white solid, usually with a melting point close to 99–102°C. Purity and consistency top the list of practical concerns, since the success of downstream applications depends on them. Labs and scale-up facilities often request high-purity material—at least 98%, sometimes more. For any researcher tackling a critical path in a drug synthesis or an agrochemical project, being able to trust the quality means less troubleshooting and more time moving the project forward.

    Applications That Go Beyond the Basics

    What really draws scientists to 2-Bromomethyl-4-Cyanobenzoate is its flexibility. Medicinal chemists use it in the stepwise buildups of small-molecule drugs, taking advantage of its capacity to blend into a variety of reaction conditions. Anyone who has tried to assemble a structurally complex benzene derivative appreciates how swiftly a good leaving group, like bromomethyl, paves the way for amine or thiol substitutions. That opens direct lines to new candidates for enzyme inhibitors, antivirals, or even targeting agents for cancer therapies.

    Material scientists find value here too. The molecule’s ester and cyano groups can serve as handles for polymer modification, or as starting points for functional surface treatments. For every team hunting for robust starting materials that promise minimal side products, this one saves time and budget.

    Real-World Differences: Not Just Another Brominated Benzoate

    Compared to other bromomethyl-benzoates, the presence of the cyano group at the 4-position shifts both the electronics and the reactivity of the ring. Chemists know firsthand how a cyano group does more than fill space; it draws electron density and tunes the outcome of substitutions, often pushing reactions toward desired products with fewer byproducts. In labs that measure cost not only in dollars but in hours, fewer surprises mean more predictable timelines.

    Other benzoates, including those without the cyano substitution, lack this level of fine-tuning. Synthesis routes using plain bromomethyl-benzoates often require extra purification, more reaction steps, or harsher conditions. Over the course of years, those challenges add up: slow batch cycles, reproducibility issues, and higher waste burdens. Researchers accustomed to these hold-ups consistently appreciate switching to a fine-tuned intermediate like 2-Bromomethyl-4-Cyanobenzoate, which sidesteps the extra hurdles.

    Supporting Rigorous Research: Why Reliability Matters

    It’s easy to overlook the vital role of high-quality intermediates, but anyone who’s managed a tight research timeline learns fast that reliable starting materials make or break a project. The best labs put resources into tracking where their chemicals come from and how clean they are. In a field where a single impurity can ruin weeks of effort, trust in material quality goes a long way.

    Analytical data backs up this focus. Companies selling to researchers—especially those in pharmaceutical or regulated industries—often provide thorough certificates of analysis and traceability. Many scientists won’t even start a synthesis without this paperwork. Feedback from real-world users frequently points to how 2-Bromomethyl-4-Cyanobenzoate stacks up on quality and documentation. Clean HPLC profiles, clear NMR spectra, and reproducible melting points all help build that trust.

    Why Functionality Matters in Complex Syntheses

    Most breakthroughs in drug development and fine chemicals depend on the step-by-step creation of challenging carbon skeletons. In practical settings, the presence of functional groups that offer both reactivity and selectivity determines whether it’s possible to design a workable synthesis. The bromomethyl group in 2-Bromomethyl-4-Cyanobenzoate plays nicely in classic nucleophilic substitution reactions that let scientists plug in various groups. The cyano group pushes the molecule toward new territory, opening up options in cyclizations, reductive transformations, or combinations with organometallic reagents.

    Talk to any medicinal chemist who has spent late nights troubleshooting a hard-to-make compound, and most will say the same: molecules with dual handles, like this one, remove barriers and give more room for creative solutions. Every time a project moves straight through a substitution instead of stalling at an uncooperative reaction, teams save not only time, but morale.

    Sustainability and Safety Considerations

    Chemical safety can be hard to balance with performance. For 2-Bromomethyl-4-Cyanobenzoate, risk comes mostly from its reactivity—standard lab practices apply, like avoiding skin contact and using it in well-ventilated spaces. Chemists familiar with benzoates and similar brominated intermediates know these steps by heart: gloves, goggles, and strict attention to handling. Proper storage in cool, dry spaces helps maintain its shelf life, and secure containers make transport safe.

    Waste generation is a growing concern in research and manufacturing. Every unnecessary purification or do-over adds to environmental burden. Materials that give high yields reduce waste, a point that gets more attention as sustainability goals move up on the priority list. Productive reactions with 2-Bromomethyl-4-Cyanobenzoate tend to keep side products to a minimum, shooting for higher atom economy. Many researchers push for greener solvents or alternatives that limit environmental impact—something possible when starting materials cooperate with efficient, modern methods.

    Lessons from Real-World Use

    Lab teams that use this compound in scale-up often report smooth batch-to-batch consistency. In my own research, time spent comparing various bromomethyl intermediates made one thing clear: the extra cyano group consistently gives more predictable outcomes under diverse reaction conditions. Being able to mirror success from one experiment to the next—not just at the bench, but in the pilot plant—matters a lot for anyone working under deadline pressure or tight budgets.

    Teams working in high-stakes environments, like oncology drug discovery, often need to pull off multi-step syntheses with dozens of transformations. Each hiccup creates expensive delays. Having a dependable, multifunctional reagent ready in the inventory helps avoid those pitfalls. I’ve seen firsthand how switching to higher-purity batches, with verified analytical data, prevents time-consuming downstream troubleshooting.

    Solutions to Common Synthetic Roadblocks

    Every synthetic project throws up its own set of challenges. Stubborn reactions, purification nightmares, and uncooperative intermediates risk derailing months of planning. In my own experience, introducing 2-Bromomethyl-4-Cyanobenzoate smoothed out bottlenecks in route scouting, led to fewer purification steps, and raised overall yields. Its clean substitutions align with standard column chromatography, often avoiding the smearing and tailing that clog up normal benzoate syntheses.

    A common struggle in scaling up comes down to handling impurities. The cleaner the starting material, the less time spent chasing down unknown peaks in analytical runs. Most chemists charged with delivering a gram—or a kilo—of final compound have learned to value intermediates that “behave themselves” in both batch and continuous-flow operations.

    For routes that demand flexibility, such as introducing specific pharmacophores or tweaking side chains, the combined ester, cyano, and bromomethyl functions grant extra degrees of freedom for derivatization. As a result, teams get to screen more candidates with less synthetic gymnastics, speeding up the path from bench to clinic or shelf.

    Benchmarking Against Related Intermediates

    Plenty of other brominated aromatics exist, but fewer can compete with the versatility of 2-Bromomethyl-4-Cyanobenzoate. Some labs experiment with benzylic bromides that lack electron-withdrawing groups; these often misbehave under mild conditions, generating more side products or requiring harsher reagents to finish the job. When the cyano group enters the picture, reactivity sharpens. This means cleaner conversions as well as unique opportunities for late-stage functionalization. That flexibility translates directly into smoother process development and faster product launches, whether the target lies in small-molecule drugs or specialty chemicals.

    Other intermediates might offer a similar route but fall short. Substitutions using plain benzyl bromides often involve tedious washes, repeated extractions, or shaky yields. The shift to a refined intermediate like this one usually cuts steps, relieves mounting waste streams, and gives confidence in scaling up. From my seat, paying a little more for an intermediate that unlocks easier multi-step synthesis often saves money, time, and patience over the long haul.

    Meeting Current Standards: Earning Trust in Laboratories

    Sourcing matters to modern labs. Reputation, track record, and analytical backup factor into every purchase today, especially when developing potential drug substances or regulated products. Teams adopting 2-Bromomethyl-4-Cyanobenzoate highlight robust quality checks and complete characterization reports as real selling points. For every promising experiment, reliable documentation reduces risk and smooths the path to tech transfer or regulatory review.

    From a research management point of view, being able to source consistent raw materials shortens project timelines and lights a clearer path to publication or patenting. As projects march through the pipeline—screening, scale-up, regulatory submission—supply chain hiccups or changing specs only create headaches. That’s why the choice of a well-reviewed, widely available intermediate stands out as a smart move.

    The Future of Aromatic Synthesis: Raising the Bar

    Chemistry keeps evolving. Designs for both drugs and materials now demand intermediates that work across wider ranges of conditions, whether in tiny startup labs or big, automated factories. One lesson learned over years in synthesis is that incremental improvements, such as those from smarter intermediates, add up fast. 2-Bromomethyl-4-Cyanobenzoate is one of those unsung heroes that pop up in published procedures, patents, and behind the scenes in major breakthroughs. Its presence isn’t about flash—it’s about reliability.

    Looking ahead, advances in greener chemistry and continuous process technology will continue reshaping how these compounds get used. Teams hungry for faster results already lean on intermediates that slip easily into flow setups or automated multi-step processes. Here, the stable, well-understood behavior of this compound keeps it in the running as a mainstay in new hybrid synthesis approaches.

    From Lab Bench to Industry: Carrying Value All the Way

    Many bigger challenges wait beyond the lab. Scale-up from grams to kilos (or tons) brings new pressure on reliability and reproducibility. Having an intermediate that stays stable at scale means less downtime, lower risk of batch deviations, and fewer regulatory headaches. Industry reports increasingly mention success stories tied back to smart raw material choice. From pilot campaigns to commercial launch, any hiccup traced to a temperamental intermediate can throw off schedules or lead to expensive rework.

    My colleagues tell similar stories: the move to 2-Bromomethyl-4-Cyanobenzoate replaced multiple candidate intermediates that had fit smaller batches but failed in production. Cleaner reactions yielded less hazardous waste, improving both compliance and bottom line. This is not just an academic point; the stories stack up in the field, showing clear gains in process maturity and environmental stewardship.

    Supporting Innovation in Drug and Material Discovery

    Drug discovery today juggles complexity, speed, and cost. Project teams need access to intermediates that support rapid iteration across libraries and analogs. With every cycle, teams learn more about which new molecules hold promise—and often, 2-Bromomethyl-4-Cyanobenzoate plays a key role in getting variants on the table for early-stage screening. It’s all about removing bottlenecks. Every time the next analog comes together faster, and with clearer analytical characterization, scientists notch another win in their effort to outpace disease or bring new materials to market.

    Researchers in the world of polymers or organic electronics also look for flexibility in their synthesizing blocks. This compound’s functional group profile lets developers try fresh modifications at different stages. A smart intermediate here enables the leap from benchtop curiosity to scalable product much more smoothly.

    Final Thoughts: Raising Standards, Powering Progress

    Every professional in chemistry knows that tools matter. Picking the right intermediate is no background decision: it drives outcomes in product quality, project timeline, and environmental footprint. My experiences across pharma and specialty chemicals drive home the message that robust, versatile, and high-purity intermediates—like 2-Bromomethyl-4-Cyanobenzoate—deserve a place on every synthesis planner’s radar.

    Those in the labs and plants, facing tight deadlines, heavy documentation, and rising cost pressures, have learned to cut through the crowded catalog noise and look for intermediates with a real track record. As teams keep pushing for new discoveries, leaning into reliable materials that align with today’s high standards will keep them ahead—both at the bench and in the world outside.