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HS Code |
823582 |
| Chemical Name | Methyl Pentafluorobenzoate |
| Cas Number | 335-62-0 |
| Molecular Formula | C8H3F5O2 |
| Molecular Weight | 226.10 |
| Appearance | Colorless liquid |
| Boiling Point | 107-109°C at 20 mmHg |
| Melting Point | -8°C |
| Density | 1.535 g/mL at 25°C |
| Refractive Index | n20/D 1.400 |
| Solubility | Insoluble in water; soluble in organic solvents |
| Flash Point | 97°C |
| Purity | Typically ≥98% |
| Smiles | COC(=O)C1=C(F)C(=C(F)C(=C1F)F)F |
| Inchikey | YZNTFGKCKANFPO-UHFFFAOYSA-N |
As an accredited Methyl Pentafluorobenzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Methyl Pentafluorobenzoate, 25g, supplied in a clear glass bottle with a blue screw cap, sealed in protective, labeled packaging. |
| Shipping | **Shipping Description:** Methyl Pentafluorobenzoate is shipped in tightly sealed, chemically resistant containers to prevent leakage and degradation. Packages are labeled according to hazardous material guidelines and are protected from heat and moisture. Shipping complies with relevant local and international regulations, ensuring safe handling for both ground and air transport. |
| Storage | Methyl Pentafluorobenzoate should be stored in a tightly closed container in a cool, dry, and well-ventilated area, away from incompatible substances such as strong bases or oxidizers. Protect it from moisture, heat, and direct sunlight. Use proper chemical storage cabinets, preferably designed for organic solvents, and ensure it is clearly labeled to prevent accidental misuse or exposure. |
Applications of Methyl Pentafluorobenzoate in Industrial ManufacturingMethyl Pentafluorobenzoate supports specialized processes in key fluorine chemistry industries. Our material, produced under stringent in-house controls, enables downstream partners to achieve targeted synthesis, maintain quality parameters, and fulfill both technical and regulatory requirements across advanced manufacturing sectors. 1. Agrochemical Intermediate SynthesisMajor crop protection manufacturers use Methyl Pentafluorobenzoate as a key intermediate for constructing complex fluorinated aromatic building blocks. Through transesterification and nucleophilic aromatic substitution, it enables the introduction of electron-withdrawing pentafluorophenyl groups critical for next-generation herbicides and insecticides. Downstream production integrates this material at the early-stage molecular assembly, ensuring high functional purity demanded by agricultural regulatory authorities worldwide. Industry compliance standards
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2. Pharmaceutical Intermediate ProductionPharmaceutical manufacturers integrate Methyl Pentafluorobenzoate in the total synthesis of APIs requiring fluorinated aromatics to boost metabolic stability and enhance bioavailability. This raw material allows precise transfer of the pentafluorobenzoyl fragment through ester-to-acid conversion, supporting scalable synthesis routes under GMP conditions. Strict in-process controls ensure impurity profiles remain within pharmacopeial limits. Industry compliance standards
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3. Liquid Crystal Monomer PrecursorThe electronics industry uses Methyl Pentafluorobenzoate as a building block to synthesize ester-based liquid crystal monomers for high-performance display panels. The aromatic pentafluorination confers rigidity and thermal stability, transferring these properties to complex biphenyl or terphenyl liquid crystal systems during subsequent ester-ether coupling. Precision in functional group placement supports specific phase transition targets critical for display manufacturing. Industry compliance standards
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4. Fluorinated Polymer ModifierAdvanced polymer producers employ our material as a functional modifier to introduce pentafluorophenyl moieties into specialty fluoropolymers. Copolymerization or post-functionalization methods assimilate the ester structure, enhancing surface energy characteristics, dielectric performance, and chemical resistance. This allows for production of materials suited to medical, electronic, and membrane applications where non-stick and high-barrier properties are mandatory. Industry compliance standards
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5. Analytical Reagent and Derivatization AgentRecognized analytical laboratories and QC facilities utilize this product for derivatization in trace analysis of environmental and pharmaceutical samples by GC-MS and LC-MS. It acts as an electrophilic labeling agent to improve volatility or detectability of hydroxyl- and amine-containing analytes during sample preparation. Reagent purity, lot homogeneity, and compatibility with instrument standards are critical for reproducible outcomes in validated methods. Industry compliance standards
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Working on the synthesis of specialty fluorinated products in our chemical plant, we’ve come to understand the many advantages that Methyl Pentafluorobenzoate brings to complex organic syntheses and research environments. Here, Methyl Pentafluorobenzoate, known for its distinct five-fluorine substitution on the benzene ring and methyl ester group, doesn’t just play a role—it opens up new directions in reactivity and product performance.
Over years of fine-tuning and scaling up production, we’ve developed both technical and high-purity grades to meet the reality of downstream processes. Our typical model contains over 99% purity by GC, with minimum water and acid content, making it highly predictable in reactive environments. We selected raw materials carefully to minimize byproducts that complicate purification or leave trace residues. Solubility in a wide array of nonpolar and moderately polar solvents supports synthetic planning and analytical work.
The highest demand comes from medicinal chemistry, agrochemical intermediates, and advanced materials labs. In these settings, customers want the assurance that once the product arrives, no additional treatment or debugging is needed; they need a Methyl Pentafluorobenzoate that behaves predictably batch after batch. We back this up by running regular process analyses—NMR, GC-MS, Karl Fischer titration—and by training operators to spot minor issues before they ever reach finished batches.
An important experience from production involves controlling side reactions that pop up whenever the process temperature or mixing profile drifts. Excess metals or trace water turn up as subtle impurities, which, even below 0.1%, can disrupt downstream fluorination or cross-coupling. So we invested in stainless steel reactors lined with fluoropolymer, built in in-line drying columns, and tracked every change in equipment and raw material batches. It sounds ordinary, but only this level of attention guarantees that the methyl ester stays intact and the pentafluoro ring isn’t compromised by hydrogen exchange or slow hydrolysis.
Lab-scale syntheses sometimes look simple on paper. On scale, exotherm management, venting, and slow crystallization of the product take on a new life. To keep aromatic substitution under control, we dose reagents over several hours and use jacketed vessels with precise thermal regulation. That consistency pays off when customers run GC or NMR and find only the expected product peaks—no phantom contaminants appearing weeks into storage.
Among the benzoate family, the strong electron-withdrawing nature of the five fluorines changes the chemistry in practical ways. Most regular methyl benzoates offer little reactivity for nucleophilic aromatic substitution—here, the pentafluoro setup makes the ring highly susceptible to such reactions, allowing for efficient introduction of functional groups that won’t proceed cleanly or rapidly with less fluorinated rings. Manufacturers and researchers working on pharmaceutical scaffolds, especially those aiming for radiolabeling, value this property.
Its volatility and melting point differ distinctly from lower-fluorinated esters. Storage and handling must respond accordingly. We supply it in high-density fluoro-resistant containers to avoid slow fluorine leaching even under demanding conditions, extending usable lifetime for our customers’ requirements.
Some clients who previously relied on trifluoromethyl or mono-fluorinated benzoates discovered through in-lab screening that pentafluorinated variants reduced the number of synthetic steps required to reach their targets. The cost difference—a frequent concern in research budgeting—often shrinks once labor, time, and waste disposal are factored in over the whole project. After switching, much less post-reaction purification is needed, and the environmental load from byproducts drops noticeably.
As a plant-based manufacturer, we work closely with teams that need peculiar impurity profiles or alternate ester groups for specific protocols. The pentafluorobenzoate backbone remains the most robust starting material for further stepwise substitution or reductions, where mono- and tri- analogs fall short in both stability and ease of later transformation.
Routine production of fluorinated aromatics brings safety and environmental stewardship to the foreground. We treat every batch of Methyl Pentafluorobenzoate with a zero-release mindset. We built closed-loop systems, capture fluorinated vent gases, and treat effluent to break down persistent byproducts before they head for final disposal. We learned the hard way that any shortcut in waste handling only returns as regulatory headaches and lost trust from advanced users in regulated industries.
As more global regulations on fluorochemicals emerge, such as registration requirements in major economies or limits on persistent fluorinated substances, in-plant monitoring has become an everyday process. Many newcomers to fluorination worry about the haloacetic acid or perfluorinated carboxylate side-products; we established real-time LC-MS checks for batch effluents, and we designed post-purification recycling steps that pull even light contaminants back from waste streams. These steps not only protect our workers and neighbors but also convince partners in pharma and electronics that our Methyl Pentafluorobenzoate will stand up to regulatory scrutiny.
We partnered with local treatment facilities to test both conventional and advanced oxidation treatments for residual byproduct destruction. Each time we upgraded technology—installing new scrubbers, redesigning reactor seals, or switching to on-site energy recovery—it improved both our bottom line and reputation among strict buyers. These investments aren’t for marketing—they’re the price of security for everyone handling or using highly fluorinated substances.
Technical repetition shapes the knowledge of any specialty chemicals plant. Chemists and engineers who handle Methyl Pentafluorobenzoate daily share their experience directly with customers, not through scripts or intermediaries. If a new user in Europe or North America reports unexpected discoloration or smells, we can immediately run keystone purity checks and raw materials tracing, then advise if the batch in question requires additional handling or was affected by unforeseen shipping conditions.
Composite material developers and pharmaceutical labs often push for bespoke variants—sometimes with altered isomer ratios or additional purification. Our direct control over process parameters lets us adjust synthesis and post-reaction workups quickly, avoiding the multi-step distribution and long lead times that plague indirect suppliers.
Every year, we test improvements in our methylation step, using new reagents or microreactor approaches to cut reagent use and further limit impurities. Sharing these updates directly with regular users helps improve their internal QA checks—every opportunity for real-world feedback returns as a process improvement in our own plant.
Some buyers accustomed to working with methyl benzoate, methyl trifluorobenzoate, or even the hydrocarbon parent compound often ask for a side-by-side comparison. What matters for most is not just academic selectivity, but how these differences translate in yield, side-product minimization, and overall ease of reaction. We run in-house test reactions for nucleophilic displacement, oxidations, and ring-opening—demonstrating clear boosts in selectivity with our pentafluorinated ester. These aren’t abstract claims; we present this data openly during buyer visits and in collaborative customer trials.
Another practical difference involves storage and handling. Methyl Pentafluorobenzoate, thanks to its greater electron withdrawal and steric protection, stands up better against slow environmental decomposition. This trait extends shelf life and maintains product quality even in longer-term storage—key for stock-holding labs and batch operations with irregular schedules.
In chromatography, the well-defined peak profile of our product, with minimal tailing or ghost signals, drastically reduces clean-up in analytics-focused environments. Conventional benzoates, despite being easier to make, rarely match this analytical clarity, often requiring extra sample prep or adjusted detector settings.
Handling Methyl Pentafluorobenzoate at manufacturing scale calls for robust plant safety. Fluorinated reagents, both upstream and in process waste, carry their own hazards. We don’t rely on broad-strokes safety plans; instead, individual hazard assessments for each input, detailed PPE protocols, and well-drilled containment responses keep the operation free from adulteration and minimize exposure risk. Finished product handling relies on closed filling lines and vapor extraction, with real-time air monitoring near drum transfer points.
Plant operators rotate through regular training cycles, learning not just the chemistry but how shifts in routine can introduce risk. Whenever we make a process tweak—adjusting reagent concentrations, ramping up for a large contract, or introducing new solvent management protocols—we brief our entire crew and run trial batches under doubled supervision. Such practices prevent batch failures and downtime that could otherwise ripple through the supply chain.
For rapid troubleshooting, our plant floor maintains an internal hotline and cross-discipline teams that jump into problem-solving without red tape. When a rare plant upset happens, all data is logged: reactor temps, pressure curves, impurity spikes. Only after root-cause identification do we return to volume production. This discipline has built confidence among returning research groups and industrial partners alike, who depend on stable supply and honest reporting.
We track trends in pharmaceuticals, electronics, and advanced coatings, where the demand for more reactive, highly fluorinated intermediates grows steadily. Engineering Methyl Pentafluorobenzoate for new applications—such as high-resistance dielectric materials or as a nesting block in radiolabel synthesis—means listening to researchers’ feedback and moving beyond simple batch output. Direct relationships, not marketing, drive real improvements.
Some emerging requests focus on trace metal contamination, which can interfere with specific catalytic cycles. Our plant invested in new purification routes, high-purity storage protocols, and supplier audits that dig into the quality of every raw input. These add complexity on our end, but save cost and time for innovators who cannot afford run-to-run unpredictability.
Digitalization in the chemical space has changed how we track and relay product data. QR-coded shipment IDs, integrated batch documentation, and live customer portals for Certificate of Analysis access keep labs abreast of quality assurance before product even leaves our loading dock. By closing the gap between synthesis lab and industrial floor, we enable tighter timelines and less waste for users with complex compliance requirements.
Collaborating with academic partners, we sponsor ongoing investigations into the less-explored reactivities of the pentafluorobenzoate backbone. New discoveries in coupling mechanisms, light-activated substitutions, or environmentally benign disposal routes feed back directly into how we approach future plant design and product iteration.
Our approach to Methyl Pentafluorobenzoate isn’t just about making another specialty ester; it’s about recognizing the small steps that—layer by layer—build a supply chain worthy of research and production. By rooting every improvement in day-to-day experience and cooperative problem solving, we deliver consistency in a molecule that opens doors to innovation. Everyone at plant level, from operators to technical sales, understands that genuine quality arises from shared know-how and a willingness to confront both chemical and logistical roadblocks head on. Whether a lab needs scale-up supply, insight into alternate purification, or quick answers to shelf-life questions, we build value not just on paper, but in the reliability that working chemists can see and prove for themselves.