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HS Code |
682239 |
| Chemicalname | 4-(Trifluoromethyl)Phenylacetonitrile |
| Casnumber | 455-19-6 |
| Molecularformula | C9H6F3N |
| Molecularweight | 185.15 |
| Appearance | White to off-white solid |
| Meltingpoint | 49-52°C |
| Boilingpoint | 227°C |
| Density | 1.26 g/cm3 |
| Solubility | Slightly soluble in water, soluble in organic solvents |
| Smiles | N#CCc1ccc(cc1)C(F)(F)F |
| Inchi | InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2 |
| Refractiveindex | 1.498 (at 20°C) |
| Flashpoint | 107°C |
| Storagetemperature | Store at room temperature |
| Pubchemcid | 75872 |
As an accredited 4-(Trifluoromethyl)Phenylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 100g of 4-(Trifluoromethyl)Phenylacetonitrile is supplied in a sealed amber glass bottle with a tamper-evident screw cap. |
| Shipping | 4-(Trifluoromethyl)Phenylacetonitrile is shipped in tightly sealed, chemical-resistant containers to prevent leakage and contamination. It is transported as a hazardous material, with proper labeling and documentation in compliance with international and local regulations. Protective measures are taken to avoid exposure to extreme temperatures, moisture, and direct sunlight during shipping. |
| Storage | 4-(Trifluoromethyl)Phenylacetonitrile should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area away from incompatible substances such as strong oxidizers and acids. Protect from direct sunlight, heat, and moisture. Ensure the storage area is equipped for handling chemicals and is clearly labeled. Personal protective equipment should be worn when handling the substance to prevent exposure. |
Applications of 4-(Trifluoromethyl)Phenylacetonitrile in Industrial ManufacturingAs a direct manufacturer with extensive process experience, we supply 4-(Trifluoromethyl)Phenylacetonitrile to major sectors with established downstream integration. The following section details its industrial application, compliance landscape, recommended inclusion levels, production steps, and reference product types within each specific field. 1. Pharmaceutical Intermediates for Active Pharmaceutical Ingredient SynthesisWithin pharmaceutical production, 4-(Trifluoromethyl)Phenylacetonitrile functions as a key intermediate in the multi-step synthesis of API candidates—especially in molecules requiring aryl nitrile or trifluoromethyl moieties for targeted bioactivity. Major pharma companies rely on its precise structural integrity for heterocycle ring formation and further functionalization under strictly controlled conditions. Producers often use it at the condensation or alkylation stage, followed by hydrogenation or hydrolysis, tightly managing trace impurities for cGMP compliance from raw input to isolated API. Industry compliance standards
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2. Agrochemical Building Block for Crop Protection ActivesAgricultural chemical manufacturers integrate this compound into synthesis routes for selective herbicides and advanced fungicides, leveraging its electron-withdrawing trifluoromethyl group to enhance target affinity and metabolic stability. The raw material typically enters as a cornerstone substrate for constructing aryl-substituted heterocycles that form the bioactive segment of pesticide products, requiring careful handling to ensure batch-to-batch consistency during scale-up. Industry compliance standards
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3. Liquid Crystal Precursor for Display TechnologyManufacturers of advanced liquid crystal materials for LCD and OLED displays use 4-(Trifluoromethyl)Phenylacetonitrile as a high-purity aromatic nitrile source in synthesizing the rigid, fluorinated mesogenic units required for high-contrast media panels. Its unique combination of high thermal stability and strong dipole moment supports formation of compounds with improved phase transition behaviors and crisp color alignment, supporting precise optical performance in end devices. Industry compliance standards
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4. Fine Chemical Intermediate for Specialty Dye ProductionProducers of performance dyes use the aryl nitrile as a versatile intermediate for synthesizing colorants exhibiting high lightfastness and photostability, crucial in technical applications such as textile inkjet printing and automotive coatings. The material’s trifluoromethyl group imparts stability and resistance to environmental fading, and dye chemists introduce it upstream during key coupling and substitution reactions to fine-tune chromophore properties before sulfonation or halogenation end steps. Industry compliance standards
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5. Advanced Material Synthesis for Fluoroaromatic PolymersSpecialty polymer manufacturers incorporate this compound in the development of fluoroaromatic monomers, targeting the high-performance requirements of engineering plastics, fluororesins, and advanced insulation materials. Its structural motif enables the introduction of trifluoromethyl groups in the monomer backbone, thereby enhancing thermal durability and chemical resistance during polymerization. As a reactive intermediate, it enters formulations needing superior dielectric or anti-stick characteristics, especially for applications in electronics and technical textiles. Industry compliance standards
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Among the specialty nitriles we produce, 4-(Trifluoromethyl)Phenylacetonitrile stands out for its versatility in pharmaceuticals and advanced organic synthesis. Anyone working with aromatic nitriles appreciates just how much a para-orientated trifluoromethyl group can influence reactivity and selectivity in research and manufacturing. Over the years, we’ve dedicated countless synthesis runs to refining this material’s quality, using both standardized and proprietary purification methods tailored to users developing fine chemicals, agrochemicals, or pharmaceuticals.
Every batch of 4-(Trifluoromethyl)Phenylacetonitrile (CAS 271-44-3) that leaves our facility undergoes stringent GC and NMR analysis, and we keep track of water content using Karl Fischer titration. Purity levels regularly exceed 98%—a figure that’s not just impressive on paper, but in practice safeguards reaction yields downstream. For scale, we offer this compound in quantities from the gram range for laboratory use up through multi-metric ton lots for our industrial clients. Managing the product lifecycle ourselves, from raw materials to final filing, allows traceability at each step.
The trifluoromethyl group in the 4-position doesn’t just make for a clever synthetic trick—it shapes the entire behavior of this molecule. Unlike methyl or methoxy substituents at the para position, the CF3 group dramatically increases lipophilicity and shifts the electron density of the benzene ring. Chemists harness these effects to boost metabolic stability and target selectivity in the final active molecule. This can be critical for new pharmaceutical ingredients, biological probes, and plant protection compounds.
Over the past decade, we’ve seen increased demand for building blocks containing electron-withdrawing groups and robust carbon–fluorine bonds. Fluorinated compounds now feature across medicinal chemistry and materials science papers, and the trifluoromethyl acetonitrile moiety figures into a number of patented molecules. Its enhanced resistance to enzymatic breakdown and oxidative degradation sets it apart from more traditional aryl acetonitriles, and from benzyl derivatives in particular. Our clients favor this feature for stringent regulatory submissions, where impurity profiles and degradation pathways come under close scrutiny.
Having worked on the ground floor in chemical plant operations for years, I know many customers judge a product by more than analytical results. Physical appearance, batch-to-batch consistency, ease of handling, and documentation make a difference. Our 4-(Trifluoromethyl)Phenylacetonitrile crystallizes as an off-white to faint yellow solid, depending on minor process fluctuations. Every campaign, we monitor polymorph tendencies and track melting range. By maintaining tight control over hydrogenation and halogenation reaction steps, we minimize colored byproducts.
We handle all material under inert atmosphere during distillation and packaging to prevent hydrolysis and contamination, which translates into stability under recommended storage conditions. Experience tells me that a dry, well-sealed container at sub-room temperatures preserves the shelf life and ensures reliable performance across research projects or continuous production settings.
Our in-house technical team remains accessible for consultation regarding reactivity, isolation of intermediates, or regulatory documentation. For projects requiring large-scale production, we can adjust synthetic sequences and purification parameters to account for new requirements—such as lower residual organic solvents or reduced halide content. This flexibility comes from years spent actually running the plant and troubleshooting process upsets, not simply relaying queries to subcontractors.
For buyers and downstream chemists, the distinctions among benzyl nitriles, phenylacetonitriles, and their substituted analogs are much more than an academic exercise. Taking as examples, unsubstituted phenylacetonitrile or 4-methylphenylacetonitrile both have their uses, but lack the crucial balance of lipophilicity and electron-withdrawing potential that the 4-(Trifluoromethyl) version supplies.
In our own pilot-scale experiments, the CF3 group at the para position slows the rate of base-catalyzed hydrolysis, which simplifies work-up and reduces the risk of side products. In a laboratory setting, this can save a couple of purification steps, letting teams move on to the next phase without pouring time into extra recrystallizations or chromatographies. During hydrogenation or alkylation, the presence of the trifluoromethyl group helps to direct reactivity and control byproduct formation, compared to non-fluorinated analogs that may give a broader distribution of unwanted side-chains.
Our quality control team analyzes every lot for trace metals and elemental halides, since these can affect some catalyzed couplings. Users scaling up aryl acetonitrile chemistry have learned the hard way that even slight inconsistencies can change yields or introduce process impurities. Having full in-house control, we see fewer surprises at scale, compared to working with bulk intermediates from traders or contract producers who sometimes accept minimal specifications to cut costs.
Organic chemists in pharma R&D use this intermediate to create substituted amines by reduction, secondary alcohols by addition, and heterocycles through cyclization. The robust C–F bonds in the CF3 group resist oxidation and metabolic transformation, so medicinal chemists often pick this scaffold while screening for improved bioavailability and stability. A number of leading pharmaceutical innovations trace back to arylacetonitrile skeletons modified by trifluoromethylation.
In agrochemical development, the nitrile group acts as a functional handle for further elaboration. We’ve partnered with leading crop science companies who employ our product to synthesize fungicides and insecticides, where the fluorinated framework blocks rapid degradation, extending product lifetimes in the field. These attributes matter not just during synthesis, but out in real-world conditions, where rainfall, sunlight, and microbial activity challenge lesser molecules.
Researchers in materials and electronics fields sometimes use this compound to introduce tailored dielectric properties or thermal stability into polymers. We occasionally receive requests for special packaging to avoid contamination in such high-purity applications. Our production flexibility helps respond to these custom demands without sacrificing the reliability of our general product lines.
Our technical journey traces decades spent on the production floor—trial, error, and success measured by actual yield drums, not just test tubes. We understand the small touches that keep projects running smoothly, like working with packing specialists to develop robust drums and bottles that withstand international transport, and collaborating with logistics teams to meet tight deadlines for just-in-time manufacturing setups.
Regulatory compliance always records high on our list. Each batch comes with traceable Certificate of Analysis, and we can supply detailed impurity profiles, residual solvent data, and stability certificates to meet even the strictest documentation needs. For pharmaceutical clients, we provide DMF support and can align with ICH Q7 guidelines for GMP production, drawing on our seasoned QA/QC staff to avoid costly audit failures or recalls.
Safeguarding health and the environment takes priority. Our plant maintains updated engineering controls and provides thorough operator training on safe handling of nitriles and fluorinated organics. Waste treatment gets integrated into the process—from recovery systems that minimize vapor emissions, to aqueous waste treatment units processing effluents to meet local and international standards. Many of our process improvements stem directly from operator feedback—years of knowing what works and what doesn’t on an actual production line.
Clients find value not simply in our material but in the professional experience that stands behind each shipment. Process questions never get routed through layers of bureaucracy. The same technical team that has personally optimized reaction conditions or set up distillation trains is available to help resolve questions, from adjusting crystallization conditions to exploring greener solvents.
Our logistics and customer engagement teams move quickly—from regulatory documentation to delivery tracking—because decades managing hundreds of product lines have taught us the impact of a project lost due to late or off-spec supply. We maintain direct relationships with top-tier raw material suppliers, conduct regular audits, and adapt sourcing strategies as market challenges change. Over time, these actions safeguard against disruptions and ensure sustainable, ethical sourcing.
Bringing a chemical like 4-(Trifluoromethyl)Phenylacetonitrile from concept to commercial production means more than simply scaling up a known reaction. We continually invest in process optimization—switching to greener catalysts, reducing hazardous reagent volumes, and recovering solvents throughout the workflow. Small enhancements over the years have reduced waste, cut energy consumption, and improved overall operator safety on the floor.
We maintain ongoing dialogue with partners and regulatory agencies, feeding back practical experiences to improve standards governing the production and transportation of hazardous chemicals. Our R&D group runs scale-down simulations and pilot trials before any major workflow gets implemented in the full plant. By anticipating bottlenecks in crystallization, filtration, or vacuum stripping, we align lot quality and shipment schedules with customer priorities, not just our own batch cycles.
Pharmaceutical pipelines continue evolving, and there’s no slowing demand for robust, well-characterized fluorinated building blocks. Our ongoing collaborations with innovative startups and major multinationals expose us to an incredible range of new applications—from next-generation kinase inhibitors to biodegradable fluorinated coatings. We track patent activity and attend technical symposia to stay current on end-user needs—both to guide our product development pipeline and to anticipate future quality or regulatory shifts.
Our plant operators, process engineers, and product managers work as one team, and many have invested decades improving just a handful of core chemistries. This depth allows us to see both the details and the bigger picture—never losing sight of what really matters to a bench researcher, a process scale-up engineer, or an end user packaging a formulated product.
Supplying high-quality 4-(Trifluoromethyl)Phenylacetonitrile only comes from hands-on experience and a culture of technical focus. From routine deliveries to custom solutions for the most demanding applications, our team keeps product and process integrity at the core of everything we do. We’ve built a reputation for transparency—the results of every lot, the methods behind every improvement, the real-world stories from our clients on products launched in dozens of markets.
We take pride in delivering not just materials, but the expertise and reliability that comes with years behind the reactor, the filter press, and the packaging line. As scientific frontiers shift and regulations evolve, we remain committed to supporting the next generation of discovery with the steady performance and trust that working chemists, engineers, and procurement specialists expect from a true manufacturer.