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HS Code |
669103 |
| Productname | 2-Nitro-4-(Trifluoromethyl)Benzonitrile |
| Casnumber | 445-22-3 |
| Molecularformula | C8H3F3N2O2 |
| Molecularweight | 216.12 |
| Appearance | Yellow solid |
| Meltingpoint | 70-74°C |
| Density | 1.57 g/cm3 |
| Solubility | Slightly soluble in water; soluble in organic solvents |
| Purity | Typically ≥98% |
| Smiles | C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(F)(F)F |
| Inchi | InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H |
| Storageconditions | Store in a cool, dry place, tightly closed |
| Hazardstatements | H315, H319, H335 |
As an accredited 2-Nitro-4-(Trifluoromethyl)Benzonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle, 25 grams, with screw cap, chemical label detailing hazard symbols, CAS number, and safety instructions. |
| Shipping | 2-Nitro-4-(Trifluoromethyl)Benzonitrile is shipped in tightly sealed containers, protected from moisture, heat, and direct sunlight. It must be handled according to chemical safety regulations, including proper labeling and documentation. Transportation is typically via ground or air freight as a hazardous material, compliant with DOT, IATA, and IMDG guidelines. |
| Storage | Store 2-Nitro-4-(trifluoromethyl)benzonitrile in a tightly sealed container, in a cool, dry, and well-ventilated area away from direct sunlight, heat, and sources of ignition. Keep away from incompatible materials such as strong acids, bases, and reducing agents. Use secondary containment to prevent leaks or spills, and label containers clearly. Follow all relevant chemical safety guidelines. |
Applications of 2-Nitro-4-(Trifluoromethyl)Benzonitrile in Industrial Manufacturing2-Nitro-4-(Trifluoromethyl)Benzonitrile is valued in advanced organic synthesis for its reactivity and process stability, acting as a key intermediate in several high-precision chemical industries. The following sections illustrate real-world, large-scale applications in which this raw material directly enables downstream manufacturers to deliver quality-controlled end products, addressing standards, process handling, formulation design, and final use cases. 1. Agrochemical Synthesis—Herbicide IntermediateThis compound enters commercial herbicide production as a primary aromatic nitrile intermediate, providing reactivity for constructing trifluoromethylated heterocycles which increase plant selectivity and environmental degradation profiles. Agrochemical manufacturers introduce it during the initial condensation stages, integrating it with advanced ring-closing or reduction sequences to yield active materials that address regulatory residue and eco-safety demands. Industry compliance standards
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2. Pharmaceutical Intermediate—Active Pharmaceutical Ingredient (API) ConstructionThe molecule functions as an advanced aromatic building block for selective pharmaceutical APIs, primarily in the synthesis of trifluoromethylated benzamide or benzonitrile motifs. Medicinal chemists deploy the compound to introduce electron-withdrawing substituents that modulate biological activity, stability, and solubility profiles within heterocyclic drug candidates. Inclusion occurs before key hydrolysis, reduction, or amidation steps to maintain system purity. Industry compliance standards
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3. Specialty Chemical Manufacturing—Advanced Dye and Pigment PrecursorsColorant and pigment producers utilize this compound’s trifluoromethyl and nitro functionalities to introduce strong electron-withdrawing effects, enhancing color fastness and photostability in specialty dyes. The raw material is incorporated in the early aromatic coupling or diazotization phases, allowing for tight control over absorption spectra and oxidation resistance needed in advanced fiber, ink, or technical coatings. Industry compliance standards
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4. Electronic Chemicals—Liquid Crystal and OLED Material PrecursorIn the electronics sector, downstream formulators use this compound as a high-purity intermediate in synthesizing advanced fluorinated aromatic structures for liquid crystal and organic light-emitting diode (OLED) applications. Its chemical profile matches the need for tight dielectric and molecular alignment tolerances, thus, it is introduced at the early condensation stages of liquid crystal monomer synthesis and further functionalized for tunable optoelectronic performance. Industry compliance standards
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5. Fine Chemical Synthesis—Catalyst Ligands and Specialty ReagentsProducers in the fine chemicals sector exploit this material for its steric and electronic properties, employing it in the manufacture of complex ligand systems used in homogeneous catalysis or as a precursor for functionalized reagents. Its introduction enables modulation of catalytic activity or selectivity, often required in precision synthesis of specialty small molecules or advanced materials. Industry compliance standards
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In the specialty chemical industry, confidence comes from both purity and consistency. Over many years manufacturing 2-Nitro-4-(Trifluoromethyl)Benzonitrile, our team has watched supply chains change, customer expectations evolve, and regulatory frameworks grow tighter. Our customers look for reliability, and demand exacting standards not just on paper, but in every drum and bag that leaves our door. This product has grown from a niche intermediate to a backbone for a number of advanced synthesis routes, and its specific properties set it apart from other benzonitrile derivatives.
We have seen how even small deviations in process controls can affect outcome—differences in pressure, temperature, and purification all influence product performance. In production, our operators have learned that 2-Nitro-4-(Trifluoromethyl)Benzonitrile requires close monitoring during nitration to avoid by-product formation. Those by-products don’t just impact purity reports; they can clog lines during scale-up or cause rework in customer facilities. Over time, investments in inline analytics and operator training have paid off. Current specifications regularly meet or exceed 99% area purity by HPLC, and off-odors or colored traces that worry downstream users get identified before packing. Quality feels tangible when orders run repeatably without downtime or returns.
In conversation with R&D partners, structural details come up often. The para relationship of the trifluoromethyl group to the nitrile in this compound is not just an academic point; it impacts both the electron distribution and ease of further reaction. Given the nitro group sits ortho to the nitrile, experienced chemists recognize changes in reactivity compared to more common benzonitriles. This increases selectivity options in formulating agrochemical actives or pharmaceutical intermediates, and allows certain coupling or reduction steps that don’t work with the meta isomer. From a manufacturer’s view, making the correct isomer at large scale, free from contaminants and other regioisomers, requires process know-how that others can’t simply mimic from published lab procedures.
Feedback from long-term clients shapes how we refine operations. Many users employ 2-Nitro-4-(Trifluoromethyl)Benzonitrile as a key intermediate for producing fluorinated aromatic compounds. These find end use in both high-value pharmaceuticals and next-generation crop protection products. In these sectors, raw material variability triggers lost productivity—batch failures, longer purification, additional solvent waste. Years ago, some customers reported yield drops using alternate sources due to unreactive contaminants or trace amines. One international client working at metric ton scale linked minor color shifts to downstream HPLC peaks in their API, leading to a full supply chain audit. They returned to our product, citing our process transparency and batch-to-batch records, because every kilogram had traceable documentation.
Sophisticated users go beyond purity numbers, digging into polymorph content, trace impurity profiles, and reactivity endpoints. We have had regular requests for stability data under various storage conditions, and data on solubility in polar and nonpolar solvents. Because of the electron-withdrawing trifluoromethyl group, this compound often dissolves more readily in acetonitrile and ethyl acetate than in less polar solvents—a feature some customers use to optimize crystallization or extraction steps. The ortho nitro group poses challenges in some hydrogenation schemes, so we have supported clients with targeted data and technical advice, sharing from our in-house lab what most transactional traders cannot.
There are many benzonitrile intermediates on the market, each with differences that affect how they work in real settings. The trifluoromethyl group on the para position introduces both bulk and significant electronegativity, which is crucial in several applications. Even subtle structural changes, such as shifting the nitro group to a different ring position, can mean the difference between success and failure in a multi-step synthesis. Many benzonitrile variants without the trifluoromethyl substitution show dramatically different rates or selectivity in aromatic nucleophilic substitution or palladium-catalyzed couplings.
From our experience, mixing up isomers or using a less defined source opens up risk—not just in impurity profiles, but in how those impurities interact with catalyst systems and support analytical control in regulated environments. The global push toward tighter regulatory oversight only sharpens this distinction. Our product gives a predictable, single peak HPLC, solid-state NMR confirmation, and elemental analysis matching theoretical values. Batch consistency, and the absence of meta or ortho positional isomers, means both scale-up and analytical validation go more smoothly for the end user.
On the shop floor, we face daily decisions that shape product quality. We source starting materials exclusively from pre-qualified vendors, who themselves face audits and regular sampling. Over the years, we have learned that even minor vendor changes—sometimes in the route to make m-nitrobenzoic acid or the fluorination stage—result in altered impurity fingerprints. Our staff have, more than once, halted batches in the midst of nitration or halogen exchange because online GC showed out-of-spec by-products.
Equipment maintenance makes a difference hard to see in finished certificates of analysis but crucial to long-term trend data. We run jacketed reactors with precise temperature profiles and actively log inlet pressure changes. Purge gases, solvent recovery, and waste stream monitoring all impact not just compliance, but how easily we reach and maintain specification. When energy prices rise, it’s tempting to cut corners on solvent distillation, but we’ve found that introducing even small amounts of recycled solvent too frequently impacts color and residual impurities. Customers doing direct scale-up have noticed this almost before our own QC, so we keep tight discipline through the entire reaction chain.
Serving a diverse customer base, we see some of the differences in expectations firsthand. Pharmaceutical and agrochemical end users run incoming raw material through multi-point testing. They need access to full certificates of analysis, impurity profiles, and chain-of-custody documents. We routinely provide IR, NMR, and chromatographic spectra for each batch, and keep retention samples on hand for several years.
One customer scaled up a multi-ton process based on our material and, during process validation, identified a single minor impurity that appeared consistently. We traced it back to a minute change in cleaning procedure on a filter dryer, made to save time between campaigns. By restoring the original cleaning regimen, we eliminated the impurity and re-established customer trust. Details like this don’t make it into spec sheets but shape our continuous improvement and standard operating procedures.
The nitro and trifluoromethyl groups influence both physical and chemical stability. This compound tends to be crystalline, and stays stable under dry, ambient storage. Our packaging team double-bags and nitrogen-purges every drum to minimize hydrolysis or reduction during transport. Field experience has shown that even brief exposure to humidity can cause color shift or faint odors, which careful users spot immediately. We advise rapid transfer to airtight vessels and suggest storing at room temperature under inert atmosphere.
In handling, this compound has a moderate vapor hazard at higher temperatures, so we provide guidance on ventilation and protective measures. Our technical support aids users in adapting raw material to their process without delays. Many clients comment that this attention to storage, handling, and documentation saves them time and avoids unnecessary requalification testing after every shipment.
We operate under ISO and industry-specific certifications, regularly audited by third parties. Waste minimization comes from both process improvements and recovery of solvents. As regulatory bodies increase scrutiny of trace fluorinated impurities, we invest in both high-resolution analytics and procedural controls. Our production site features a closed-loop solvent handling system and trace discharge monitoring, and we have shifted several steps to recyclable and less hazardous reagents over the last five years.
End users appreciate transparency regarding environmental impact. We share relevant data and documents, so regulatory filings and environmental impact statements can draw on credible, manufacturer-sourced data. Our R&D group continues exploring greener nitration and reduction routes. For some customers in regulated pharmaceutical chains, we produce dedicated batches with enhanced controls to support full regulatory inspection and site audit, recognizing that trust in data and process security is as important as purity on paper.
Over years working face-to-face with process engineers, QC chemists, and regulatory auditors, we have found that the true value of our product comes not just from the molecule itself, but from the support and consultation we provide. Our technical staff have visited customer sites to troubleshoot crystallization, share stability data, and review data anomalies in joint investigations. We have received requests for small custom lots with altered impurity content, to test new catalysts or process routes. Because we control the full production chain, we can tailor certain parameters within reason, providing new options that traders and resellers cannot.
We document every batch with full traceability. End users often request decade-old batch records or supporting documentation for re-registration. We keep these on hand, respecting confidentiality and providing data to support customer submission needs, which can stretch over many years of regulatory or patent coverage.
From supply disruptions to evolving industry standards, challenges keep raising the bar. The recent spikes in raw material pricing and logistics slowdowns have tested everyone in the specialty chemical sphere. By supporting our local vendor base and investing in safety stock, we’ve maintained continuity for customers despite broader market instability. Several customers reached out during pandemic supply shocks, recalling prior support as a factor in returning once logistics stabilized.
We recognize that off-the-shelf, lowest-price approaches cannot meet the demands of industries facing life-safety compliance or multi-million-dollar process validation. Trusted relationships, born from transparent problem-solving and continuous improvement, represent real-world value—a value measured by uninterrupted process operations, smooth regulatory inspections, and consistent yields at scale. Our focus remains on those measurable outcomes, with the understanding that making things right during trouble counts as much as smooth sailing during easy times.
With demand growing for fluorinated and nitro-substituted aromatics in both pharmaceuticals and emerging fields like electronics, we continue refining production and quality assurance. Our commitment to real-world partnership, not just supply, drives us to keep investing in process control, documentation, and the technical exchange needed for customers’ evolving needs.
Year after year, users return for supply that meets tough requirements. They rely on transparency, deep expertise, and direct communication. Our work with 2-Nitro-4-(Trifluoromethyl)Benzonitrile underscores the point: in specialty chemicals, reliability and deep-rooted experience shape better outcomes—within our plant, across the shipping dock, and into each demanding application downstream.