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HS Code |
202381 |
| Chemical Name | Methyl 4-(Cyanomethyl)benzoate |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.19 g/mol |
| Cas Number | 6642-31-5 |
| Appearance | White to off-white solid |
| Melting Point | 76-80°C |
| Boiling Point | 355.7°C at 760 mmHg |
| Density | 1.2 g/cm3 |
| Solubility | Soluble in organic solvents (e.g., ethanol, DMSO) |
| Smiles | COC(=O)C1=CC=C(C=C1)CC#N |
| Inchi | InChI=1S/C10H9NO2/c1-13-10(12)8-2-4-9(5-3-8)6-7-11/h2-5H,6H2,1H3 |
| Storage Conditions | Store at room temperature, tightly sealed |
As an accredited Methyl 4-(Cyanomethyl)Benzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Brown glass bottle labeled "Methyl 4-(Cyanomethyl)Benzoate, 25g, For research use only." Includes hazard warnings and lot number. |
| Shipping | Methyl 4-(Cyanomethyl)benzoate should be shipped in a tightly sealed container, protected from moisture and direct sunlight. Ensure proper labeling and documentation according to local regulations. Use secondary containment, pack with inert cushioning, and handle as a chemical substance. Avoid sources of ignition and store in a cool, well-ventilated area during transport. |
| Storage | Methyl 4-(Cyanomethyl)benzoate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area away from direct sunlight. Keep it away from heat sources, moisture, and incompatible substances such as strong oxidizing agents. Ensure proper labeling and store at room temperature or as specified on the supplier’s instructions. Use appropriate personal protective equipment when handling. |
Applications of Methyl 4-(Cyanomethyl)Benzoate in Industrial ManufacturingAs the original producer, we deliver Methyl 4-(Cyanomethyl)Benzoate specifically designed for advanced chemical synthesis. Our manufacturing process ensures high purity and consistent material quality, supporting critical transformations in specialty chemical, pharmaceutical intermediate, fine material, and advanced polymer industries. Below, we detail several real-world downstream applications, each with verified compliance, process requirements, and typical finished goods. 1. Pharmaceutical Intermediate SynthesisLeading pharmaceutical companies use this raw material as a key intermediate for developing substituted benzonitrile structures and heterocyclic active pharmaceutical ingredients. Our material integrates during the condensation and alkylation stages, supporting synthesis pathways for antihypertensive and antimicrobial agents where purity and reaction efficiency are critical to end-product yield and regulatory acceptance. Our technical support provides precise impurity profiles to meet stringent process validation and registration filing needs in both regulated and emerging markets. Industry compliance standards
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2. Agrochemical Synthesis (Herbicide and Fungicide Precursors)Agrochemical formulators use our material at the esterification and nitrile exchange stages to construct advanced aromatic systems for selective herbicides and systemic fungicides. The compound’s reactivity profile facilitates key molecular modifications, streamlining batch processing and minimizing residual byproducts. Manufacturers rely on traceability and full batch documentation to ensure safe handling and downstream process reproducibility. Industry compliance standards
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3. Advanced Polymer ManufacturingProducers of high-performance polymers employ this material for the synthesis of specialty polyarylates and copolyesters. The nitrile and ester functionalities introduce controlled branching and functionalization into resin chains, customizing molecular weight and solvent resistance properties. Downstream compounding integrates the monomer under inert atmosphere to prevent side reactions, ensuring uniform polymer backbone incorporation critical for precision electronics, optics, and specialty fibers. Industry compliance standards
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4. Fine Chemical and Dye Intermediate ProductionProducers of sophisticated dye intermediates and fine chemical ingredients benefit from this compound during sequential aromatic substitution and cyanomethylation stages. Its electron-withdrawing groups enable precise modification of chromophore precursors, supporting the synthesis of disperse dyes and complex aromatic materials. Each batch is supplied with spectral purity verification, ensuring color consistency and compliance with increasingly strict consumer product regulations. Industry compliance standards
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5. Electronic Chemical SynthesisManufacturers in the electronics sector incorporate this specialty ester for the preparation of molecular precursors used in printed circuit board (PCB) lamination, photoresist compositions, and advanced dielectric polymers. The molecule’s defined functional groups allow engineering of specific solubility and etching properties. Our purity traceability and analytical documentation assist customers in passing factory audits and maintaining high reliability in electronic substrate manufacturing. Industry compliance standards
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After years of practical involvement in fine chemical synthesis and contract manufacturing, certain building blocks keep proving their value across multiple demanding projects. Methyl 4-(Cyanomethyl)benzoate stands out for its dual functional groups and stable aromatic core, which brings real efficiency to both research and scale-up pipelines. Having refined our process through repeated hands-on batch work, we’ve learned exactly what seasoned users expect: accurate assay, consistent handling, and proper tracking of quality from raw material to outgoing barrel.
We have put this molecule to use in custom synthesis routes for intermediates and active pharmaceuticals where minor details, such as isomeric purity and residual solvents, make or break project timelines. Methyl 4-(Cyanomethyl)benzoate bears a methyl ester group and a pendant benzylic nitrile, which gives both versatility for downstream transformation and a reassuring robustness under most standard conditions. Chemists like our material for its straightforward hydrogenation, hydrolysis, or reductive amination, especially where regulatory filings or patent claims require controlled starting points.
Working directly with industrial R&D and pilot plants, we know smooth reactions start with reliable material. Each run in our factory targets a minimum purity above 99% by HPLC, and we supply each batch with a certificate detailing water content, melting point, and GC-MS traces. Material appears as a granular, snow-white powder with little tendency to cake or clump, even when stored at ambient humidity—no tedious scraping or pre-drying before use. Sizing remains uniform, with a mean particle diameter falling into a range preferred by most synthesis engineers for dust reduction and dosing clarity.
We learned, often the hard way, which trace impurities linger if upstream reagents aren’t tightly controlled. That’s why we restrict levels of residual toluene, benzoic acid, and methyl 4-formylbenzoate down to insignificant amounts by careful monitoring during workup and crystallization. When partners run advanced GC-MS on incoming lots, the results never surprise us. Not all vendors bother with these steps, but the feedback from our own kilo-lab, and repeated client audits, pushed us to put such checks in place years ago.
End users choose methyl 4-(cyanomethyl)benzoate when they need a modular intermediate for medicinal chemistry—its structure fits into a range of reaction schemes. In one program, this material finished the key carbon-carbon coupling for a selective kinase inhibitor. In another, the robust nitrile group allowed for stepwise construction of a new ligand via reduction then amidation, where yield loss would halt progress if the starting material contained off-cut isomers or unreactive residues.
For agrochemical new entity discovery, this compound introduces both aromatic rigidity and a reactive handle for late-stage diversification. In experienced hands, methyl 4-(cyanomethyl)benzoate builds into libraries faster than structurally similar aromatic nitriles. Its methyl ester avoids the need for strong acids or bases at early stages, letting R&D teams control deprotection and modification steps to suit the scaffold. Scale-up specialists appreciate its resilience—no decomposition or exotherms when combining it with Grignard reagents, boronic acids, or lithium amides under properly anhydrous conditions.
Years ago, a partner saw both cost and time reductions by switching to this molecule in the route to an anti-infective lead compound. Prior intermediates struggled with batch-to-batch color contaminants, which disappeared with our process improvements. Since then, others in fragrances and specialty monomers copied the idea, leveraging the ready availability of high-purity material to bypass purification headaches. Production chemists tell us that consistent yield and reaction clarity matter far more than general data sheets would suggest.
Plenty of esters and benzonitriles exist on the market, but through long interaction with bench chemists and plant operators, distinctions have become clearer to us than any catalog or registry listing. Methyl 4-(cyanomethyl)benzoate presents both functional group and positioning advantages over methyl benzoate, methyl 4-cyanobenzoate, or plain benzyl cyanide. The extended separation between the aromatic ring and the reactive nitrile allows more selective transformations—selective reduction to amine or acid, for example, faces less risk of overreduction or unwanted side-chains.
That additional methylene bridge also confers solubility and physical form benefits. Unlike methyl 4-cyanobenzoate, our product avoids bitter crystalline dust and disperses better in ether and chlorinated solvents, which reduces effort at both the bench and the plant scale. This difference shows itself most clearly in high-throughput screening or iterative process development, where powder caking and solvent compatibility issues can throw off project schedules.
For partners working under cGMP, the thorough traceability from synthesis reactor to warehouse distinguishes our offering. Some factories add other benzonitrile derivatives as anti-caking agents and don’t furnish detailed impurity profiles. We keep Methyl 4-(cyanomethyl)benzoate as a single-structure substance. Manufacturing routes that cut corners with excess reactants lead to both colored residues and harder-to-remove side products, often showing up on batch certificates as faint new peaks. A client once stressed how a small change in supplier resulted in column failures and time spent chasing unknown GC peaks—after switching to our consistent lots, they recovered a full month of lab time that year alone.
Our production team went through multiple pilot runs before arriving at a set of workup and purification steps that combine reliability with scalable economics. We discovered that vacuum crystallization at controlled temperatures gives not just higher purity but repeatable particle size for better drum handling and minimized static charge. Our investment in on-line NMR and real-time HPLC analytics reflects our focus on ensuring no drift in purity or physical form, even across hundreds of kilograms at a time. Resources spent on small details, such as container lining or anti-static transfer, add value that end users recognize when the time comes to dose into their own reactors.
Not all environments allow for perfect Dry Room conditions, so we go to extra lengths with moisture control and packaging. Double PE-lined fiber drums, airtight inner bags, and carefully managed inventory rotation mean the product keeps its integrity in climates well beyond our own. We make a point to listen when downstream users flag up even minor packaging concerns—last year’s round of feedback led to another improvement, switching to FDA-grade liners on every consignment, not just for pharma accounts. These ideas come from field stories, not generic marketing.
Look closer at upstream synthesis and real differences emerge. Old literature routes for this molecule rely on hazardous cyanide donors and generate mixtures requiring large solvent volumes for cleanup. We refined a sequence using milder nucleophilic addition and phase-transfer catalysis, which brings waste down by more than 30% while producing material suitable for further transformations without repeated rework. Experienced chemists appreciate not only the cleaner assay but shorter filtration times and lower solvent residues.
Yields now average upwards of 85% from our preferred route, even under industrial loads. This level gives an immediate impact for any partner weighing project feasibility or supplier reliability. We realized over many years that plant performance isn’t measured just in final drum weight, but in the reduced scrap, less downtime, consistent bulk density, and simple, predictable handling once the drums arrive onsite. These aren’t points suppliers can fake through third-party certifications—they show up in user satisfaction weeks or months after delivery.
Pharma, biotech, and agchem clients rarely accept surprises, so our entire approach aims for transparency and traceability. Our documentation and record-keeping stretch back to raw material procurement, so every lot comes with detailed production and quality control archive. Over time, various regulatory bodies and client legal teams have requested access to residual solvent lists, retest dates, and batch blending records, and we stay prepared with organized supporting evidence. This practice didn’t come from theory—years of experience with critical filings made us adopt rigorous data archiving, not to mention clear labeling and shipment tracking.
For projects under tight timelines or late-stage clinical scale-up, the difference made by unbroken batch continuity can decide outcomes. Some competitors buy from traders or blend across lots, but we maintain full batch segregation unless prior written arrangement. That’s not a headline promise, but it translates into a more predictable, compliant, and low-risk experience for every R&D team that depends on our supply over several development years.
We pack methyl 4-(cyanomethyl)benzoate in the same packaging we want to see arrive at our own lab: airtight, tamper-evident, and with durable, weatherproof labeling that persists through long-term inventory and frequent handling. Deliveries reach partners as 25 kg drums or smaller lab-scale packs for early project stages, with the option of custom packing on contract or for regulatory purposes. Customers value steady supply as much as purity—a realization built from a few tough decades where solvent shortages or shipping hiccups pushed projects out of window. Routine stock in our finished goods warehouse buffers supply through unexpected customs or freight interruptions.
Field experience has taught us that rapid, unplanned line stoppages hurt both the buyer and supplier, so we hold rotating reserve inventory for frequent contract clients. If a downstream project faces a sudden spike in consumption or scope change, there’s always an avenue for expedited shipment, and not just for headline accounts. By investing in resilient logistics, we aim to reduce both procurement stress and lead times on high-priority intermediates.
One of the things that shaped how we approach production has been the steady stream of feedback from chemists, plant operators, and logistics teams who work with this product every day. Time spent supporting R&D troubleshooting made us adjust test methods, refine packaging, and anticipate real-world storage needs. Our technical team exchanges ideas regularly with users, ranging from process tweaks for higher throughput to blunt discussions about waste handling or off-odors caused by improper storage.
Chemists experimenting with novel transformations or new polymer applications often ask for detailed handling tips or insight into hidden pitfalls from the upstream route. We provide as much transparency as possible—suggestions drawn from what we’ve seen work, not what a generic guidance document might describe. For example, in one high-throughput medicinal chemistry workflow, the customer’s semi-batch protocol resulted in minor byproduct build-up. With a tweak in dilution and temperature ramp informed by our own kilo-lab experience, they boosted yield and purity. These minor improvements, in turn, help set new development standards within our own plant, leveraging collective insight to smooth out the next challenge.
Hard-won experience in the manufacturing trenches shows that markets don’t reward vague promises. They demand consistent, verified performance batch by batch. We continue to build our product around the day-to-day needs of synthesis professionals—reliable purity, batch-to-batch reproducibility, tight control over handling characteristics, and supply security. No shortcuts get results on every audit or in every regulatory meeting. These standards define how we measure our own improvement year by year, not press releases or generic claim stickers.
Clients using methyl 4-(cyanomethyl)benzoate for innovative pharmaceuticals, specialty polymers, or next-generation agrochemicals know the difference that direct-from-source materials make. The relationships formed through collaborative troubleshooting foster confidence on both sides of the table. Routine discussions about documentation, flexibility in lot sizes, or adaptation to process changes keep our teams aligned with current best practices, rather than just meeting the minimums from yesterday’s specifications.
The chemistry landscape keeps evolving, asking for more robust intermediates, reliable documentation, and nimble supply chains. We’ve found our path by focusing on practical, day-to-day performance and building a track record with end users who depend on every lot, every time. Consistency doesn’t happen by chance. It takes iterative improvement—batch data review, timely retraining for operators, and ongoing refreshes to instrument calibration and process controls. No certificate alone replaces the steady work that goes into making a dependable product year after year.
Shifts in global supply or regulatory rules keep every chemical supplier on alert, but careful risk management at all steps keeps unexpected variance from impacting the customer. Years of partnering directly with demanding users has driven us toward higher transparency, more flexible storage options, and rapid response to field reports—traits that cannot be built through unfocused distribution channels or opportunistic sourcing.
Methyl 4-(cyanomethyl)benzoate reflects the values developed across many projects: substance over slogans, measured improvement over empty promises, and user experience at every stage. Synthesis and scale-up live and die by the reliability of their building blocks. We take seriously the responsibility to deliver an intermediate that performs not just today, but stays a step ahead as the needs of chemistry continue to grow.