Products

Methyl 3-(trifluoromethyl)benzoate

    • Product Name: Methyl 3-(trifluoromethyl)benzoate
    • Chemical Name (IUPAC): Methyl 3-(trifluoromethyl)benzoate
    • CAS No.: 329-98-6
    • Chemical Formula: C9H7F3O2
    • Form/Physical State: Liquid
    • Factroy Site: Nanbao Development Zone, Tangshan City, Hebei Province
    • Price Inquiry: sales7@bouling-chem.com
    • Manufacturer: Tangshan Sanyou Group Co., Ltd
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    Specifications

    HS Code

    666517

    Compound Name Methyl 3-(trifluoromethyl)benzoate
    Cas Number 329-98-6
    Molecular Formula C9H7F3O2
    Molecular Weight 204.15
    Appearance Colorless to pale yellow liquid
    Boiling Point 95-97°C at 15 mmHg
    Density 1.302 g/cm3 at 25°C
    Refractive Index 1.474
    Smiles COC(=O)C1=CC(=CC=C1)C(F)(F)F
    Pubchem Cid 160388
    Solubility Insoluble in water, soluble in organic solvents
    Flash Point 100°C (212°F)
    Synonyms Methyl m-(trifluoromethyl)benzoate, 3-(Trifluoromethyl)benzoic acid methyl ester
    Inchi InChI=1S/C9H7F3O2/c1-14-9(13)7-4-2-3-6(5-7)8(10,11)12

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

    Packing & Storage
    Packing Brown glass bottle containing 25 grams of Methyl 3-(trifluoromethyl)benzoate, sealed with a plastic cap and labeled with hazard information.
    Container Loading (20′ FCL) Container Loading (20′ FCL) for Methyl 3-(trifluoromethyl)benzoate: Typically loads about 12–14 MT packed in 200 kg plastic drums.
    Shipping Methyl 3-(trifluoromethyl)benzoate is shipped in tightly sealed containers, kept away from moisture, heat, and incompatible substances. It must be labeled according to chemical safety regulations and packed securely to prevent leakage or breakage during transit. Transport complies with relevant local and international chemical shipping guidelines.
    Storage Store *Methyl 3-(trifluoromethyl)benzoate* in a cool, dry, and well-ventilated area away from direct sunlight, heat sources, and incompatible substances such as strong oxidizers. Keep the container tightly closed when not in use, using glass or compatible plastic. Ensure proper labeling and avoid moisture entry. Follow all relevant chemical hygiene and local regulatory requirements for safe chemical storage.
    Shelf Life Methyl 3-(trifluoromethyl)benzoate is stable under recommended conditions and typically has a shelf life of at least two years.
    Application of Methyl 3-(trifluoromethyl)benzoate

    Purity 99%: Methyl 3-(trifluoromethyl)benzoate with 99% purity is used in pharmaceutical intermediate synthesis, where it ensures high-yield and consistent product quality.

    Molecular weight 202.14 g/mol: Methyl 3-(trifluoromethyl)benzoate at 202.14 g/mol is used in agrochemical formulation development, where precise dosage calculation enhances formulation accuracy.

    Melting point 18°C: Methyl 3-(trifluoromethyl)benzoate with a melting point of 18°C is used in organic synthesis processes, where its low melting point enables easy handling and mixing.

    Boiling point 222°C: Methyl 3-(trifluoromethyl)benzoate with a boiling point of 222°C is used in high-temperature reactions, where it maintains stability and prevents premature evaporation.

    Flash point 102°C: Methyl 3-(trifluoromethyl)benzoate with a flash point of 102°C is used in controlled laboratory environments, where safe solvent recovery and low fire hazard are critical.

    Density 1.27 g/cm³: Methyl 3-(trifluoromethyl)benzoate with a density of 1.27 g/cm³ is used in fine chemical manufacturing, where its consistent density facilitates reproducible blending and processing.

    Stability temperature up to 80°C: Methyl 3-(trifluoromethyl)benzoate with stability up to 80°C is used in storage and transport, where it preserves chemical integrity over time.

    Low water content <0.1%: Methyl 3-(trifluoromethyl)benzoate with water content below 0.1% is used in moisture-sensitive applications, where it prevents unwanted hydrolysis and ensures product longevity.

    GC assay ≥99.5%: Methyl 3-(trifluoromethyl)benzoate with GC assay of at least 99.5% is used in analytical reference standards, where it provides high reliability and accuracy in calibration.

    Residue on ignition ≤0.05%: Methyl 3-(trifluoromethyl)benzoate with residue on ignition less than or equal to 0.05% is used in electronics chemical processing, where minimal residue supports high-purity device fabrication.

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    Certification & Compliance
    More Introduction

    Methyl 3-(trifluoromethyl)benzoate: A Direct Manufacturer’s Perspective

    Understanding the Product Through Our Own Lens

    Methyl 3-(trifluoromethyl)benzoate developed and produced on our site stands as a distinctive intermediate in the world of fine chemicals. The reason this molecule attracts consistent attention from R&D chemists and commercial producers isn’t just its structure—a methyl benzoate core with a trifluoromethyl group at the meta-position—but because that substitution brings a powerful shift in chemical properties. We know firsthand from running reactions with both the non-fluorinated and trifluoromethyl analogs that this small change produces significant downstream effects. For instance, the introduction of the CF₃ group enhances the electron-withdrawing character of the aromatic ring, which in turn affects how it behaves in further electrophilic aromatic substitution reactions or how esters of this compound hydrolyze under acidic or basic conditions.

    Typical Specifications and What Drives Quality

    Our own current set of specifications results from years of dialogue with end users in the pharmaceutical and agrochemical sectors. Chemists routinely ask for a purity that exceeds 99%, aiming to prevent downstream side reactions or contaminants that can waste both time and solvents in separation and purification processes. As a manufacturer, controlling for trace levels of impurities, especially positional isomers or unreacted trifluoromethylating agents, demands persistent attention to detail. Using GC, HPLC, and NMR, we constantly monitor each batch, with every spectral library reference confirmed against structure and impurity profile, not just mass. That control enables reliable scaling—from small R&D batches up to hundreds of kilograms.

    This product typically comes as a clear, colorless liquid with a distinctive, faintly aromatic odor. The boiling point falls around 220–222°C under atmospheric pressure. Moisture content presents another factor for batch quality. Even trace amounts of water, often below 0.1%, can skew reactions or affect crystallization in downstream transformations. From our manufacturing side, double-checking for water using Karl Fischer titration serves as a critical release criterion.

    Our Real-World Uses—Feedback from Industry Collaborations

    We see most customers transform methyl 3-(trifluoromethyl)benzoate through further functionalization at the methyl ester or aromatic positions. Medicinal chemists frequently start by hydrolyzing the methyl ester to its acid, which opens up further options for amidation or coupling to heterocyclic fragments. In our years of supplying this compound, we have seen requests from those developing nonsteroidal anti-inflammatory drugs and from agricultural companies seeking new herbicidal scaffolds.

    The trifluoromethyl group does more than increase hydrophobicity. Our collaborative partners in pharma tell us it often improves metabolic stability and modulates the molecule’s electronic environment to raise activity toward their biological targets. For example, attaching a CF₃ group to the benzoate ring can block oxidative metabolism by liver enzymes, which helps prolong a drug candidate’s lifetime in vivo.

    Our internal R&D team regularly tests downstream chemistry. Reductive hydrogenation, selective halogenation, and cross-coupling reactions all proceed smoother in the presence of a precisely defined trifluoromethyl group. By controlling impurity profiles and minimizing side products, we allow our industrial clients to streamline process development, reducing purification steps and solvent use. This feedback directly shapes our internal production controls, as chemists in process scale-up always share their results with our plant operators.

    Why Our Approach Differs from Commodity Suppliers

    What we do goes beyond shipping a drum of chemical. In our plant, every step gets logged, and operators receive regular training on best practices with fluorinated aromatics. These are harder to handle than typical methyl benzoate derivatives due to higher vapor pressures and potential for trace acid impurities. Fluorinated compounds also raise the stakes for environmental management, something we meet through closed-system collection and tailored effluent treatments.

    Unlike distributors or middlemen, who arrange bulk quantities and rarely see what happens after delivery, we engage with customers about how each parameter—such as trace hydrolysis products, color development during storage, or stability under various lighting conditions—affects their application. If a reaction that worked at one scale suddenly produces an unknown impurity at larger scale, we invite feedback, investigate at the bench, and even suggest procedural tweaks. This cycle returns valuable insight into how methyl 3-(trifluoromethyl)benzoate performs in real conditions, with real solvents and catalysts, not just standardized laboratory setups.

    Keeping Costs in Perspective

    Manufacturing organofluorines involves a unique set of challenges. The CF₃ introduction step requires specialized reagents—often expensive and moisture-sensitive—and generates both target and isomeric byproducts. Over the years, we have invested in both continuous-flow and batch synthesis options to contain costs and boost yield reproducibility. Putting this molecule into larger volume production means not just sourcing high-quality trifluoromethyl reagents, but also minimizing waste and optimizing recycling of solvents and starting materials.

    Some customers ask why an apparently simple aromatic ester can be so much pricier than straight methyl benzoate. From plant safety compliance, fluorine waste abatement, to regular line cleaning protocols, the answer comes down to real-world operating costs that appear at nearly every manufacturing juncture. Because we run regular maintenance on PTFE-lined reactors and in-line scrubbers, we keep product quality high and environmental risk low, which directly impacts the piece price. As a manufacturer, these are unavoidable realities, and we are transparent about how this influences final cost.

    Comparing Methyl 3-(trifluoromethyl)benzoate to Other Esters

    Working with both trifluoromethylated and non-fluorinated methyl benzoates, our process chemists quickly notice the differences. Methyl 3-(trifluoromethyl)benzoate brings higher chemical resistance under both acid and base, compared to methyl benzoate or methyl 4-nitrobenzoate. The electron-withdrawing nature of CF₃ slows nucleophilic aromatic substitution at the meta position, supporting different synthetic routes than those normally used for nitro or halogen derivatives. It’s less reactive in electrophilic halogenation, showing less side-chain oxidation during free radical processes—a fact we have demonstrated in our own pilot-scale labs.

    Our QC data points to greater hydrolytic stability under ambient conditions. While methyl esters will normally saponify at moderate rates in strong alkaline conditions, the trifluoromethyl group slows this down, meaning stock solutions of methyl 3-(trifluoromethyl)benzoate tend to retain purity even after extended storage in the presence of trace dampness. This quality helps our clients avoid the tedium of repeated vacuum drying or re-purification just before use. By contrast, methyl benzoate with electron-donating substituents or ortho/para directors tend to pick up more degradation byproducts when handled at scale or left exposed during transfer operations.

    One of our own synthetic challenges comes in large-scale production where positional isomers may form if temperature or reagent ratios slip out of balance. Unlike simple methyl benzoate derivatives, purification relies more on careful distillation and less on recrystallization. The boiling point differential between the target and impurities is smaller, requiring precise control of column pressure and fraction collection. Our operators engage directly with the QC lab staff for every production run, and any deviation—like mild discoloration or a shoulder in the GC trace—triggers a review before release. This approach sets us apart from suppliers who simply relabel repacked material from upstream sources without knowledge of its manufacturing history.

    Risk Mitigation and Worker Safety

    Handling and storing methyl 3-(trifluoromethyl)benzoate on site relies on clear protocols. Our plant staff trains regularly on the handling of fluorinated aromatics, using double-sealed drums and dedicated storage away from strong bases and oxidizers. While the compound’s acute toxicity remains in the low-moderate range compared with more reactive trifluoromethyl benzenes, regular personal monitoring and local exhaust capture remain standard precautions. We don’t treat this as a box-ticking exercise—our technical team and shift supervisors know the real-life consequences of even minor leaks or cross-contamination between product lines.

    The production of methyl 3-(trifluoromethyl)benzoate generates distinct tails—unreacted methyl benzoate, trifluoromethylated side streams, and various low-level organofluorine residues. Our environmental control process involves not only classical solvent recovery, but also on-site incineration and selective condensers for volatile fluorinated byproducts. Understanding that fine control over emissions distinguishes responsible manufacturers from those merely aggregating and reselling, we continually share results from our stack monitoring with local regulators and visiting corporate partners.

    Challenges in Sourcing and Continuous Supply

    Consistent production of methyl 3-(trifluoromethyl)benzoate hinges on reliable access to key trifluoromethyl sources. The global supply of reagents like trifluoromethyl iodide and trifluoromethylating agents has sometimes tightened, especially during regulatory changes or logistics slowdowns. We have built multiple supplier relationships and secondary synthesis pathways to buffer against interruptions. Newer methods, such as continuous-flow tube reactors, enable us to maintain throughput without compromising on quality—even when upstream spot shortages arise.

    Some raw material risks are unique to this class of product. Trifluoromethylating agents tend to degrade slowly during storage, generating small but significant quantities of hydrogen fluoride. Our staff checks that incoming material remains within specification, and in-house passivation steps neutralize excess acidity before charging reactors. This layer of due diligence keeps the process running safely and reduces the risk of substandard outputs.

    This approach stays rooted in practical realities, not just paperwork or compliance audit preparation. By prioritizing consistent process control and ongoing operator education, we provide dependable delivery schedules for both calendar-year contracts and ad-hoc orders.

    Product Development and Future Directions

    Research in functionalized aromatic fluorides continues to expand. From our vantage point, fresh interest in CF₃-bearing scaffolds links back to increased demand for selective biological activity in both pharmaceuticals and crop protection. We have observed that clients push for ever-purer starting materials to maximize reliability in, for example, Suzuki and Buchwald–Hartwig coupling chemistry—reactions structurally sensitive to even single-percentage contaminants.

    We support development partnerships with industry and academia alike. Our team routinely synthesizes analogs and reference standards for comparison, so we see close-up how methyl 3-(trifluoromethyl)benzoate’s performance matches (or sometimes outpaces) more established aromatic esters in both yield and product isolation purity. Early process chemists in small companies often come to us for advice on reaction scale-up risks or new downstream transformations. We see the practical hurdles, such as emulsion formation during aqueous workup or excessive fuming during acid chloride conversion, and work together to streamline their process to production scale.

    With market shifts, sustainable production now matters as much as yield. Our latest plant upgrades target waste reduction and resource recycling at every synthesis step. Rather than disposing of fluorinated waste outright, our recovery columns enable partial recycling into downstream products or offsite conversion with lower overall environmental impact. These changes fit growing demands from our regulatory partners and end-users for greater transparency and responsibility in chemical production.

    Conclusion: The Manufacturer's Commitment

    Long-term engagement with methyl 3-(trifluoromethyl)benzoate production and supply has taught us that reliability, transparency, and direct control of every aspect of manufacturing matter most. Each improvement or setback in our processes translates quickly to the quality and consistency experienced by customers. Through open communication and steady technical partnership, we back every shipment with the experience and attention of chemists, engineers, and operators who see the value and challenges of this compound in everyday work—not just in lab data or sales figures.

    We remain committed to meeting evolving needs in both current and emerging applications. Each product batch reflects the care and technical progress that only firsthand manufacturing experience can deliver.