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HS Code |
737488 |
| Chemical Name | Ethyl 3,5-Bis(Trifluoromethyl)Benzoate |
| Cas Number | 872-54-4 |
| Molecular Formula | C12H8F6O2 |
| Molecular Weight | 302.18 g/mol |
| Appearance | Colorless to pale yellow liquid |
| Boiling Point | 122-124 °C at 18 mmHg |
| Density | 1.396 g/cm3 at 25 °C |
| Refractive Index | n20/D 1.419 |
| Solubility | Insoluble in water; soluble in organic solvents |
| Smiles | CCOC(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 |
| Inchi | InChI=1S/C12H8F6O2/c1-2-21-11(19)8-3-7(12(14,15)16)5-9(4-8)10(13,17)18/h3-5H,2H2,1H3 |
| Pubchem Cid | 69660 |
| Storage Temperature | Store at 2-8°C |
| Synonyms | 3,5-Bis(trifluoromethyl)benzoic acid ethyl ester |
As an accredited Ethyl 3,5-Bis(Trifluoromethyl)Benzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | The chemical is packaged in a 25-gram amber glass bottle with a secure screw cap, labeled with product details and hazard information. |
| Shipping | Ethyl 3,5-Bis(Trifluoromethyl)Benzoate is shipped in tightly sealed containers, protected from light and moisture. It is typically transported as a non-hazardous chemical under standard temperature conditions. All packaging complies with relevant safety regulations to prevent leaks or contamination during transit. Handle with appropriate personal protective equipment during unpacking and use. |
| Storage | **Ethyl 3,5-Bis(Trifluoromethyl)Benzoate** should be stored in a tightly sealed container, away from moisture, heat, and direct sunlight. Keep in a cool, dry, and well-ventilated area, segregated from incompatible substances such as strong oxidizers. Follow all relevant safety protocols and local regulations to prevent accidental spills or exposure. |
Applications of Ethyl 3,5-Bis(Trifluoromethyl)Benzoate in Industrial ManufacturingEthyl 3,5-Bis(Trifluoromethyl)Benzoate serves as a specialized building block in multiple sectors requiring high-purity fluorinated aromatics. As a direct manufacturer, we supply this raw material for critical synthesis steps where its trifluoromethyl functionalities enhance specific end-product properties and process performance. 1. Pharmaceutical Active Ingredient SynthesisIn pharmaceutical manufacturing, this benzoate derivative acts as an intermediate for fluorinated drugs and agrochemical actives. Its electron-withdrawing groups modulate bioactivity and metabolic stability in target molecules. Downstream, process chemists incorporate this ester into multistep syntheses leading to advanced pharmaceutical intermediates or final APIs, typically under controlled conditions to comply with traceability and residual solvent limitations. Industry compliance standards
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2. Advanced Material CoatingsIn specialty coatings and polymers, this compound functions as a fluorinated aromatic monomer precursor. It modifies the physical properties, chemical resistance, and surface energy of high-performance coatings, especially those required to withstand aggressive solvents or challenging outdoor conditions. Its fluorine content confers hydrophobicity and increased weather resistance in engineered polymers and resins. Industry compliance standards
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3. Agrochemical Intermediate ProductionChemical manufacturers utilize this benzoate as a key intermediate for fluorinated agrochemicals, benefiting from its high purity and reaction site specificity. The molecule’s trifluoromethyl groups aid in creating active ingredients with enhanced persistence and bioavailability, especially in herbicides and fungicides designed for demanding field conditions. Industry compliance standards
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4. Electronic Chemicals and OLED MaterialsIn electronic chemicals sectors, this compound contributes to synthesizing high-purity intermediates and components for organic light-emitting diode (OLED) materials and related display technologies. Its molecular structure supports the fine-tuning of electronic properties, improving charge transport, and chemical durability in emissive and charge-transport layers. Industry compliance standards
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5. Liquid Crystal Compound SynthesisProducers of liquid crystal materials use this benzoate derivative in the synthesis of specialized aromatic esters and fluorinated compounds for advanced display technologies. Its structure enhances the dielectric anisotropy and thermal stability of final liquid crystal mixtures, providing improved electro-optic performance for high-resolution panels. Industry compliance standards
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Ethyl 3,5-Bis(Trifluoromethyl)Benzoate has earned a solid place in the toolkit of many synthetic chemists and manufacturers involved with fluorinated aromatic compounds. With the formula C12H8F6O2, this chemical offers a reliable building block for developers seeking a strong fluorine profile and outstanding electron-withdrawing properties. Over the years in our plant, we have witnessed how this compound has evolved from a specialty item into an essential intermediate for advanced applications, particularly because of its two trifluoromethyl groups placed on the benzene ring at positions 3 and 5.
Operating in the field of chemical manufacturing, we’ve seen how one structural variation can influence countless downstream properties. In our experience, the inclusion of two trifluoromethyl groups boosts the compound’s lipophilicity and increases its metabolic stability, both in laboratory and industrial settings. This, in turn, impacts the compound’s role as more than just an intermediary. When compared with analogs bearing mono- or di-substituted trifluoromethyl groups in other positions, Ethyl 3,5-Bis(Trifluoromethyl)Benzoate demonstrates different reactivity and bulk, which shifts how it behaves in multi-step syntheses. We notice these subtleties on a daily basis, especially during coupling reactions or when preparing advanced pharmaceutical or agrochemical candidates.
Chemists trust their suppliers not only for consistency in delivery, but for repeatable, high-purity material. In our production cycles, precision in reaction control and purification has become a fundamental discipline. As manufacturers, we monitor several critical parameters, ranging from raw input ratio to fractional distillation control. Routine batches typically deliver content above 98%, which sets the foundation for reproducible research and development work further down the line. Impurities in these compounds can often derail a long project, so ongoing purification and in-process testing directly support the end user’s outcomes in their own laboratory or production.
Our firsthand experience supplying this ester to companies and academic groups shows a clear trend: most requests support medicinal chemistry—specifically, as a building block for pharmacophores where fluorine atoms alter both metabolic and electronic properties. The high-density fluorination on this molecule often contributes to drugs that demand metabolic resistance or specific polarity. Beyond the pharmaceutical sector, other buyers harness these properties for crop protection products. Plant physiologists and chemical engineers have explained to us that the presence of multiple trifluoromethyl groups can increase persistence and bioactivity profiles, giving an edge to new active ingredients. Fluorinated esters also support the synthesis of functionalized polymers, where increased hydrophobicity or surface energy influences behavior in specialty coatings and electronics.
Experience on our production floor has underscored several practical points. Compared to simple ethyl benzoate, the added weight and polarity from the two CF3 groups impart much lower volatility, rendering this compound less prone to loss during distillations or solvent removal. Many users comment on its greater chemical stability—resisting both oxidation and substitution under mild conditions, which imparts a longer shelf life and fewer packaging headaches. Structural analogs lacking these two CF3 groups often require additional steps or stabilizers—steps that add cost and complexity.
Structurally, this ester diverges from other fluorinated benzoates by balancing the number and position of trifluoromethyl groups. Each position on the benzene ring changes not only the electronic influence but impacts downstream reactions such as nitration, halogenation, or coupling. Through hands-on feedback, synthetic teams informed us that shifting these groups to ortho or para positions can introduce steric hindrance or alter ortho-directing effects, complicating synthesis strategies for their targeted molecules.
Day-to-day operations in our plant reflect how this product’s synthesis process shapes its performance. We source only high-purity 3,5-bis(trifluoromethyl)benzoic acid as our core raw material. The reaction pathway typically involves a targeted esterification, where we carefully control moisture content and catalyst concentration to prevent hydrolysis byproducts. Each batch undergoes multiple stages of in-line extraction, and we run gas and liquid chromatography assays on every lot. Our analytical chemists routinely check for residual acid or solvent, as minor contaminants can introduce variations in reactivity.
The process is not without challenges. Trifluoromethylated aromatics bring increased health and environmental concerns; our facility implements extra ventilation and containment measures to minimize worker exposure and environmental release. We have worked directly with local regulatory agencies to upgrade our waste treatment and scrubbing systems. Over the past few years, ongoing improvements to our standard operating procedures—prompted by both user feedback and our internal audits—have allowed us to consistently deliver higher-purity material without increasing downstream environmental burden.
Developments in the chemical industry move at a rapid pace. Many times, our technical sales and support team receive direct calls from principal investigators or industrial chemists who need an adaptation—often a specific batch size, tailored solvent system, or alternate packaging for sensitive projects. Working as a manufacturer, we troubleshoot unexpected reactivity during customer trials and suggest modifications based on practical data tracked in our process logs. Manufacturing at scale brings a close connection to the academic and industrial bench, which allows us to track trends in downstream reduction, Suzuki-Miyaura coupling, or selective fluorination.
As new applications for multi-trifluoromethyl products surface, we routinely take part in collaborative projects to push the envelope further. Testing small pilot lots alongside research partners opens windows into formulation science, intermediate stability, and the impacts of long-term storage. We have adjusted solvents, stabilizers, and even tweaked reaction parameters to help customers develop efficient routes to advanced materials or pharmaceuticals, all while reducing turnaround time.
In a chemistry lab, every intermediate counts toward the success of the final molecule. From what we’ve observed, Ethyl 3,5-Bis(Trifluoromethyl)Benzoate often serves as the “lynchpin” intermediate, offering access to unique fluorinated motifs through reduction, amide formation, or transition-metal catalyzed couplings. Our ongoing discussions with partners have shown that availability of consistently pure material enables these chemistries to become standard tools across many labs.
The higher fluorine content provides clear advantages in medicinal chemistry. Fluorinated substituents are well-known for their ability to alter metabolic fate, lipophilicity, and even transporter affinity in developed compounds. Bench scientists using this ester often report increased selectivity and improved biological profiles compared to lower-fluorine-content analogs. The molecule’s stability under acidic and basic conditions extends the toolbox for synthesis and isolation as well.
Fluorinated compounds are not always easy to handle or synthesize. Our journey in producing Ethyl 3,5-Bis(Trifluoromethyl)Benzoate has involved constant evaluation of safety practices, equipment, and process controls. Not every batch runs perfectly, and troubleshooting unanticipated issues—like exotherms or failed separation—requires detailed logs and willingness to adapt protocols on the fly.
We’ve also seen the impact of supply chain disruptions on high-purity fluorinated starting materials. Working through shortages taught us the value of maintaining robust relationships with primary suppliers and diversifying storage strategies. Ongoing investment in QC staff and routine equipment calibration have proven their worth, allowing us to detect and fix problems long before material reaches our customers.
Transportation of finished material to international customers also demands attention—weovercame issues with package stability and compliance by collaborating directly with hazardous material carriers and refining our labelling, container selection, and secondary packaging designs. These real-world adjustments reduce risk for our customers and allow safe, timely delivery of each order.
Producing and handling heavily fluorinated aromatics raises the bar for environmental awareness. In the past, fluorinated waste posed significant treatment challenges. Our facility now operates advanced waste acid neutralization and carbon treatment units, minimizing the release of persistent residues. By capturing and recycling solvents wherever possible, we’ve curbed overall emissions, and employee training focuses on rapid containment and reporting of spills or leaks.
Manufacturing experience also teaches vigilance against regulatory shifts. Legislation governing fluorinated compounds continues to evolve as the persistence and potential toxicity of PFAS (per- and polyfluoroalkyl substances) become better understood. We work with regulatory experts and industry organizations to anticipate changes and adjust our processes, embodying a forward-looking approach that supports innovation without compromising future generations’ health or safety.
Not all fluorinated esters are created equal. Through repeated syntheses in our facilities, it’s clear that 3,5-bis(trifluoromethyl) substitution grants higher yields during esterification and post-synthesis handling, thanks to reduced side reactivity. In contrast, some para- or ortho-substituted analogs present purification difficulties or generate higher levels of unsaturated byproducts. We catalog after every batch; this root cause analysis not only improves our processes over time but also guides our supply chain customers to choose the most efficient path for their unique chemistry.
Demand from polymer and liquid crystal research as well as advanced coatings has also led to an uptick in requests for this ester, with project leaders pointing to its unique balance between molecular rigidity and electron-withdrawing ability. Unsubstituted or less-fluorinated esters often lack the thermal or chemical stability needed for these demanding environments. Researchers have shared their comparative testing data with us as part of feedback exchanges, marking clear advantages in using the 3,5-bis(trifluoromethyl) derivative in both scale-up and pilot production.
Looking ahead, the role of fluorinated building blocks is set to grow. As sustainable chemistry initiatives gather pace and green chemistry principles become embedded into R&D workflows, we are investing in lower-emission reagents and exploring catalytic cycles that minimize hazardous byproducts. One priority is increasing atom economy for this synthesis, targeting lower-generation of halogenated waste and improved energy consumption, without sacrificing the clean, high-yield output expected by our clients.
The push for low-impurity, high-purity chemicals will likely intensify as both pharma and agrochemistry sectors raise quality and documentation standards. Real data from our QC labs guide ongoing internal benchmarking, and periodic blind sample testing across production lines maintains our confidence in delivering material that meets or exceeds these upcoming demands.
The dialogue with our customers—be they research scientists, formulation chemists, or product developers—keeps us humble and driven to improve. Ethyl 3,5-Bis(Trifluoromethyl)Benzoate may look like just another line on a product list from the outside, but years on the manufacturer’s floor reveal endless variations in how each batch is used, adapted, and trusted. We value the challenges brought to us and continue to strengthen our capacity by combining operational discipline, responsive technical service, and industry insight.
Being at the source of production, we take pride in every kilogram produced and every project powered by our materials. Attention to each detail—from the design of synthesis route through the day the batch ships—carries forward into final performance at the user’s end, whether in a research lab or full-scale industrial plant. Our ongoing commitment is simple: to keep learning from our experiences, improve with feedback, and match the pace of chemical innovation that our industry partners drive.