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Methyl 3-Methyl-4-Nitrobenzoate

    • Product Name Methyl 3-Methyl-4-Nitrobenzoate
    • Alias Methyl 4-nitro-m-toluate
    • Einecs 239-335-3
    • 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
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    327396

    Iupac Name Methyl 3-methyl-4-nitrobenzoate
    Molecular Formula C9H9NO4
    Molecular Weight 195.17 g/mol
    Cas Number 7206-35-9
    Appearance Yellow solid
    Melting Point 91-93°C
    Solubility Slightly soluble in water, soluble in organic solvents
    Smiles CC1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]
    Inchi InChI=1S/C9H9NO4/c1-6-4-5-7(9(11)14-2)8(10(12)13)3-6/h3-5H,1-2H3
    Pubchem Cid 317779

    As an accredited Methyl 3-Methyl-4-Nitrobenzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing White, screw-cap amber glass bottle labeled “Methyl 3-Methyl-4-Nitrobenzoate, 25g, for laboratory use only.” Includes hazard symbols.
    Shipping **Shipping Description for Methyl 3-Methyl-4-Nitrobenzoate:** Ship in a tightly sealed container in a cool, dry, well-ventilated area. Handle as a potentially hazardous chemical; avoid heat, sources of ignition, and mechanical shock. Package according to regulations for organic nitro compounds, including labeling and documentation. Consult MSDS and local transport rules for specific hazard classifications and restrictions.
    Storage Methyl 3-Methyl-4-Nitrobenzoate should be stored in a tightly sealed container, kept in a cool, dry, and well-ventilated area away from sources of ignition, heat, and direct sunlight. Avoid storing with incompatible materials such as strong oxidizers and reducing agents. Ensure proper labeling and restrict access to trained personnel. Use secondary containment to prevent spills or leaks.
    Application of Methyl 3-Methyl-4-Nitrobenzoate

    Applications of Methyl 3-Methyl-4-Nitrobenzoate in Industrial Manufacturing

    Methyl 3-Methyl-4-Nitrobenzoate serves as a specialized intermediate in several tightly regulated manufacturing arenas. Its unique substitution pattern on the benzene ring enables precise transformations in organic synthesis. Below, we detail its primary industrial applications, focusing on compliance, precise formulation role, downstream process integration, and representative end products manufactured by direct customers.

    1. Pharmaceutical Intermediate for Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)

    This compound finds critical use in multi-step synthesis of several advanced NSAID molecules, notably where methylated nitrobenzoate scaffolds are required. Manufacturers rely on this intermediate during selective nitration and methyl ester transesterification phases. Its introduction permits controlled placement of functional groups, which enables efficient downstream hydrolysis and amination for API synthesis in pain management formulations.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU GMP Part II API-related controls
    • USP-NF Monographs for Intermediates (where applicable)
    • FDA 21 CFR Part 211 for process validation and documentation

    Typical usage ratio

    • Batch input varies between 0.18 to 0.33 molar equivalents relative to primary amination substrates;
    • Precise ratio determined by targeted NSAID structure and expected process yield

    Downstream process integration

    • Used during condensation or reduction stages of NSAID synthesis
    • Added post-initial nitration while maintaining strict temperature and pH profile
    • Further processed via catalytic hydrogenation and methylation prior to hydrolytic removal of the ester group

    Final product types

    • Ibuprofen derivatives (substituted propionic acids)
    • Tolfenamic acid precursors
    • Specialty anti-inflammatory API intermediates
    • Pain management bulk drugs

    2. Agrochemical Synthesis for Selective Herbicide Production

    Methyl 3-Methyl-4-Nitrobenzoate functions as an essential intermediate in the multi-stage creation of benzoyl herbicides, especially for crops requiring selectivity against broad-leaved weeds. Agrochemical manufacturers value its precision during aromatic amination and reduction, which permits downstream chlorination and coupling with isopropyl or methoxy functionalities for specific weed targeting.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius for technical-grade agrochemical intermediates
    • European REACH Annex VII/VIII for intermediate safety and handling
    • ISO 9001:2015 for process and batch consistency
    • China National Standard GB 2763 for pesticide residue management

    Typical usage ratio

    • Employed at 0.25 to 0.4 molar equivalents relative to the final aromatic core during coupling stage
    • Adjusted depending on herbicide loading and crop specificity

    Downstream process integration

    • Fed into synthesis line post-nitration and methylation sequence
    • Undergoes amination and reduction to prepare the aromatic ring for subsequent chlorination
    • Directly linked to formulation of active ingredient as a benzoylurea or analogous structure

    Final product types

    • Benzoyl-based herbicide actives for rice and wheat fields
    • Pre-emergence selective herbicides
    • Bulk herbicidal technical concentrates
    • Formulated crop protection products (EC, SC, WG types)

    3. Specialty Dye and Pigment Intermediate for Advanced Colorants

    The nitro and methyl functionalities on the benzene ring provide a foundation for synthesis of high-performance dyes, especially for use in plastics and specialized textiles. Methyl 3-Methyl-4-Nitrobenzoate undergoes controlled reduction to produce amino benzoate intermediates, which serve as coupling partners in azo dye formation and condensation for producing UV-stable pigments. Tight control over reaction conditions ensures chromatic purity and process repeatability.

    Industry compliance standards

    • OEKO-TEX Standard 100 for restricted substances in textile dyes
    • EU Regulation (EC) No 1907/2006 (REACH) for pigment intermediates
    • ISO 9001:2015 for colorant manufacturing process
    • GHS classification and safety labeling standards

    Typical usage ratio

    • Variable, typically 12%–28% by total dye batch mass, depending on target hue and stability
    • Adjusted to optimize chroma versus UV-resistance in final pigment

    Downstream process integration

    • Reduced to amino form by catalytic hydrogenation or stannous chloride
    • Fed into diazotization and coupling reactions with phenols or aromatic amines
    • Final product isolated by filtration and spray drying

    Final product types

    • High-purity azo dyes for plastics extrusion
    • UV-stabilized pigment concentrates
    • Reactive textile dyes for technical fabrics
    • Specialty ink colorants for electronic displays

    4. Intermediate for Advanced Polymer Additive Synthesis

    Manufacturers utilize Methyl 3-Methyl-4-Nitrobenzoate as an input for finely-tuned polymer stabilizer molecules, enhancing performance in high-temperature and UV-exposed thermoplastics. The material introduces aromatic rigidity and customized electronic effects when incorporated into hindered amine light stabilizers or antioxidant backbone structures. Its chemical profile supports targeted reactivity at precise points in process flow.

    Industry compliance standards

    • EU Regulation (EC) No 1272/2008 (CLP) for chemical substances in plastics
    • UL 94 for flame retardancy-tested polymer additives
    • ASTM D638 for mechanical testing of polymer-modified materials
    • ISO 14001:2015 for environmental impact in additive production

    Typical usage ratio

    • Injected at 5%–18% by additive batch weight, depending on polymer matrix and stabilizer type
    • Ratio adjusted by targeted service temperature and exposure durability

    Downstream process integration

    • Fed following polymer resin pre-blending
    • Reacted under controlled temperature and solvent system to yield advanced stabilizer or antioxidant
    • Filtered, formulated, and compounded with matrix resin granules

    Final product types

    • Hindered amine light stabilizer masterbatches
    • Antioxidant-modified polyethylene and polyamide pellets
    • Flame-retardant thermoplastic compounds
    • High-performance automotive plastic components
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    Certification & Compliance
    More Introduction

    Methyl 3-Methyl-4-Nitrobenzoate: Direct From the Manufacturer

    Understanding the Substance: What Sets It Apart

    Methyl 3-methyl-4-nitrobenzoate isn’t one of those over-marketed compounds a customer picks off a general reagent catalog. It sits on the bench for chemists and researchers who track their raw materials back to the synthesis route and use analytical logs to connect observed results with the batches that shaped their work. As a producer, my perspective starts from the reaction flask, not a shipping spreadsheet.

    Making this particular ester means starting with carefully selected methyl groups and nitrobenzoic acid sources. The nitro group at the fourth position and the methyl group at the third are less about textbook naming and more about real consequences in downstream chemistry. Lab workers who have tried to run methylations by simple adjustments know this; there’s no swapping one methylbenzoate for another and expecting the same reactivity or cleanup.

    Factory Reality: Batch Consistency and Purity Standards

    Production relies on batch control—narrow temperature bands, timed additions of starting reagents, controlled pH during reaction and work-up. Getting a reproducible product with the 3-methyl and 4-nitro arrangement requires precise reaction monitoring. Drifting half a degree or letting reactants sit too long during esterification can land you with unwanted by-products, especially ortho- and para-isomers that behave very differently during subsequent reactions.

    Our protocols use real-time chromatography and NMR to verify structure and composition. Anyone who has tried to clean up a batch after a misstep in nitro group placement knows that careful design and execution do more for purity than excessive post-reaction purification. As a manufacturer, these details matter because they affect every researcher or process technician who runs analytics on their delivered batch. Chemical supply chains have little margin for error once customers start seeing ghost peaks on their HPLC readouts.

    Raw Materials: Traceability and Sourcing

    No shortcut exists for raw material traceability. Modern QC in fine chemicals demands data on precursor solvents, reaction catalysts, and even trace metals. Responsible chemical manufacturing increasingly means investing in source transparency, not just for regulatory reasons but also because it cuts down on unpredictable batch variability. Every synthetic chemist knows that switching grade or vendor for the same starting acid or alcohol shifts yields and purity. By documenting batches from the incoming acid and methanol to the final ester, we make troubleshooting straightforward and credible.

    Applications in Synthesis, Pharmaceutical Intermediates, and R&D

    Methyl 3-methyl-4-nitrobenzoate attracts interest mostly in pharmaceutical R&D and agrochemical route scouting. The nitro group at para position offers a handle for further functionalization—think classic reductions to amines or nucleophilic substitutions. The methyl group at meta avoids strong electron donation to the ring, so the aromatic system isn’t as reactive as unsubstituted nitrobenzoates. Synthetic pathways relying on this fine control turn to this molecule for constructing more advanced intermediates, often in multi-step synthesis programs for regulated industries.

    Process chemists working toward specific APIs or high-value ligands appreciate that they can rely on consistent reactivity, particularly for reductive or substitution chemistry. Methyl 3-methyl-4-nitrobenzoate stands up during scale-up because the downstream transformations don’t throw chemical surprises—no forgotten minor byproducts popping up when it’s time to do validation runs.

    Physical Properties and Handling Based on Experience

    In the plant, the ester moves from glass-lined reactors to storage after filtration and rotary evaporation; it emerges as a light yellow crystalline solid. Over the years, we’ve found small tweaks in crystallization—slow cooling and proper filtration—drive not only appearance but also solubility in the solvents most labs use. Knowing that some customers scale reactions from milligram to multi-kilo quantities, we standardize on a physical form that handles the same at room temperature under inert gas, for both bench-top and larger scale operations.

    Moisture pickup stands out as the main risk with storage. Our packaging lines keep each lot in sealed, nitrogen-flushed containers. Customers often run Grignard-type reactions or sensitive reductions, so we produce the ester with minimal water and test for trace-level moisture content before dispatch. If a process calls for re-drying, technical notes from our lab include verified oven conditions and advice on minimizing thermal decomposition.

    Solubility checks run as a routine, not a courtesy. Primarily soluble in common organics like dichloromethane, ethyl acetate, and THF, the product holds up in both exploratory analytical runs and scale-up dissolution tasks. Anyone who’s lost time stirring for hours over poorly dissolving solids will recognize how pre-tested solubility values support straight-line project advancement.

    Why Quality Variability Matters—Real-World Outcomes

    Not all methyl nitrobenzoate esters behave equally. Each position—ortho, meta, para—yields differences in melting point, reaction rates, and the ease with which downstream chemists can introduce further groups. Labs that’ve swapped in “equivalent” materials from poorly documented sources have traced failed reactions and unreliable yields back to these structural differences. Consistency from our side prevents fire drills at the user’s end; when QC sends a batch out that doesn’t meet spec, the cost isn’t just a refund—it’s wasted R&D, time lost in scale-up, and sometimes entire synthetic routes getting scrapped.

    From our bench, producing on-spec batches isn’t just about reputation management. It keeps the scientific process honest. Analytical and preparative chemists need to trust that a methyl 3-methyl-4-nitrobenzoate batch really matches the literature, not just the invoice.

    Comparison With Other Nitrobenzoic Esters

    Methyl 3-methyl-4-nitrobenzoate differs from methyl 4-nitrobenzoate, methyl 2-methyl-4-nitrobenzoate, and other variants in both physical and chemical properties. During routine synthesis, the position of each substituent alters electron density and steric effects. In the real world, this means that substituting the 3-methyl for a 2-methyl or 5-methyl changes how quickly the nitro group gets reduced, or disrupts regioselectivity for halogenations and other substitutions.

    Customers sometimes ask about the economic tradeoff—could they switch to a more “available” ester for bench tests or pilot production? Experience says that off-target compounds eventually introduce more trouble than cost savings. For some types of combinatorial chemistry, the extra methyl group on the meta carbon makes or breaks the selectivity of coupling or cyclization steps. Physical properties shift too: melting point, solution color, even odor, which most operators notice when handling large batches.

    Product Handling, Storage Lessons Learned

    Years of feedback from both internal and external users have shaped our packaging and guidelines. Methyl 3-methyl-4-nitrobenzoate travels best in airtight, opaque containers. Desiccant-packs help reduce water activity for long-haul shipments. Direct sunlight during storage discolors the product and sometimes alters reactivity; so storage away from windows and heat sources is essential.

    On the shop floor, we train our teams to spot the subtle cues—odor sharpness, color shade, free-flowing texture—that indicate a clean lot versus one that’s absorbed too much moisture or has been exposed. We emphasize documenting the time from production crystallization to final packing, ensuring the product reaches the end-user as fresh and consistent as when it left the reactor.

    Downstream Usage: Feedback Loops to Manufacturing

    Our relationship with end-users goes beyond shipping certificates of analysis. Synthetic routes often evolve, and the best feedback for quality improvement comes from researchers who push our product into new reaction territory. Sometimes, modifications in a customer’s protocol uncover subtle impurities or residue challenges we might not detect in-house. Rather than dismissing these, we track and document everything because it improves our next production run.

    A memorable example came from a pharmaceutical group struggling with a purification problem. Their process highlighted a low-level impurity that emerged during a reductive step. After a joint review, we adjusted our filtration and solvent rinse parameters, which dramatically reduced impurity carry-over in subsequent batches. Direct dialogue with users, open records of change, and ongoing sample analysis allow both sides to narrow down problems and keep outputs reproducible.

    Sustainability Considerations in Production

    Traditional esterification chemistry leans heavily on organic solvents and sometimes on hazardous reagents. Over the past decade, we’ve shifted our approach to greener chemistry wherever the product and downstream application allow. For methyl 3-methyl-4-nitrobenzoate, this includes solvent recovery, using catalytic amounts of acids wherever possible, and reducing the load of halogenated compounds in both upstream preparation and plant cleaning protocols.

    We incorporate energy monitoring and heat recovery where possible—precise temperature control not only improves product purity but also cuts operational costs. Our waste streams, especially acidic and nitro-aromatic residues, are neutralized and sent to accredited treatment partners. By cataloging waste at every production step, we simplify compliance and lower the risk of accidental releases.

    Users increasingly ask about the carbon footprint of specialty intermediates, especially when supplying to large-format pharmaceutical or agrochemical clients. Documented improvements in energy use and solvent recycling translate into concrete reductions in footprint, allowing our buyers to include real data in their own sustainability audits.

    The Importance of Trace Impurities and Batch Analytics

    In advanced synthesis, trace impurities often spell the difference between a workable process and a dead-end. Niche esters like methyl 3-methyl-4-nitrobenzoate need thorough analytical profiling by both GC-MS and NMR. Our historical batch logs help pinpoint emerging trends—if a single lot shows up with a slightly altered melting range or carries a trace unknown, it triggers a production and materials review.

    Early on, we learned that short-cutting on QC, or sticking to off-the-shelf analytics, led to holes in trace impurity tracking. Now, our laboratory correlates every main process change with a complete panel: purity by chromatography, absence of heavier aromatic contaminants, confirmed ester linkage, and cross-referenced solvent background. Customers sometimes use their own in-house analytics, and their findings get rolled back into our specifications. They save time by knowing what they’ll get, and we cement long-term partnerships by staying transparent to the batch level.

    End-Use Industries and Regulatory Demands

    Pharmaceutical and specialty chemical users set the pace for quality and documentation. Updating product data sheets and technical files forms part of our routine, but more crucial are the customer audits. Buyers and regulators come onsite, inspect logs, and sometimes pull their own samples. Familiar faces from compliance and process improvement teams stay involved from order to post-delivery support; experience builds trust faster than standard paper trails.

    Exported batches, especially those bound for regulated markets, require compliance with global standards for purity, stability, and REACH or TSCA listings where required. Our responsibility as a manufacturer means we watch for emerging requirements—like new solvent exposure thresholds or trace heavy metal limits. By keeping the product well within expected limits, we reduce holdups at customs and increase customer confidence.

    Supply Chain Practices: Adapting to Volatility

    Raw material shortages and pricing surges happen with little warning in today’s market. During the last global supply crunch, we saw spot shortages of methyl and nitro precursors, and some vendors cut corners that led to higher impurity loads. As a dedicated producer, we prefer to hold extra stock of critical inputs and develop parallel vendor streams with validated material. This forward planning saves both us and our customers from last-minute formulation changes or reformulation headaches.

    Extensive records on source, quality, and lot attribution matter just as much as tightly controlled synthetic protocols. During audits, customers want to see not only the batch certificate but also the root data for primary lots. We streamline this with digital batch files and cross-linked analytics, supporting rapid response if a traceability or recall scenario arises.

    Supporting Research and Process Innovation

    Methyl 3-methyl-4-nitrobenzoate serves as a foundation molecule for research teams working on new aromatic synthesis strategies or tailoring novel intermediates. Providing consistent batches lets research teams generate reliable reaction condition data—every lab manager dreads recording a promising result, only to find the input was off-spec, requiring costly repetition or even scrapping a publication plan.

    Direct engagement with research-oriented clients accelerates both feedback and innovation. Technical support isn’t limited to a documentation update. Instead, customers get access to our chemists, who can offer insights from their experience scaling up and troubleshooting real-life production. Over time, these partnerships deliver better yields, fewer batch anomalies, and new routes to advanced molecules built on the foundation of our intermediate.

    Future Outlook and Ongoing Improvements

    Continuous improvement remains the only sustainable path for specialty chemical manufacturing. Advances in process chemistry, better analytics, and real-world use cases challenge us to refine our process on every run. For methyl 3-methyl-4-nitrobenzoate, this might mean cleaner catalysis steps, more efficient reclamation of solvents, or finding new green chemistry routes that offer the same product quality with a lighter regulatory footprint.

    Listening to the chemists and engineers who use our product matters as much as keeping regulators satisfied. By combining bench-level insight with plant-wide process control and open feedback loops, we keep methyl 3-methyl-4-nitrobenzoate a trusted tool for advanced synthesis—not just another chemical name on an ever-rotating order sheet.