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2-Nitro-4-(Trifluoromethyl)Benzonitrile

    • Product Name 2-Nitro-4-(Trifluoromethyl)Benzonitrile
    • Alias 2-nitro-4-(trifluoromethyl)benzonitrile
    • Einecs 223-702-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    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 & Storage
    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.
    Application of 2-Nitro-4-(Trifluoromethyl)Benzonitrile

    Applications of 2-Nitro-4-(Trifluoromethyl)Benzonitrile in Industrial Manufacturing

    2-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 Intermediate

    This 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

    • FAO/WHO Specifications for Plant Protection Products
    • REACH Regulation (EC 1907/2006) for agricultural chemical intermediates
    • OECD Guidelines for the Testing of Chemicals
    • Good Laboratory Practice (GLP) implementation

    Typical usage ratio

    • Ranges from 8% to 15% (w/w) in agrochemical active ingredient synthesis; adjusted by ring closure yield and crop-specific selectivity targets

    Downstream process integration

    • Added in controlled N-alkylation or reduction steps under inert gas atmosphere
    • Reacted with amine or hydrazine derivatives prior to cyclization and purification
    • Monitored via in-line FTIR for completion before downstream chlorination or formulation

    Final product types

    • Trifluoromethylated phenoxy herbicide actives
    • Complex nitrile herbicide intermediates
    • Post-emergent weed control agents for cereals and broadleaf crops

    2. Pharmaceutical Intermediate—Active Pharmaceutical Ingredient (API) Construction

    The 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

    • Current Good Manufacturing Practice (cGMP, ICH Q7)
    • United States Pharmacopeia (USP), European Pharmacopoeia (EP)
    • FDA 21 CFR Part 211 for intermediates in drug synthesis
    • ICH M7(R1) guidelines for impurity assessment

    Typical usage ratio

    • Ranges 2%–6% (mol/mol) in API-related reaction sequences, controlled by route selection and target molecule requirements

    Downstream process integration

    • Charged into reaction reactor for aromatic nucleophilic substitution prior to hydrolysis or reduction
    • Isolated and purified as an intermediate before downstream acylation or cycloaddition
    • Purity monitored by HPLC and NMR before release for further synthesis

    Final product types

    • Trifluoromethylated benzamide-based APIs (including CNS actives and antitumor agents)
    • Intermediate scaffolds for kinase inhibitors
    • Building blocks for fluorinated drug substances

    3. Specialty Chemical Manufacturing—Advanced Dye and Pigment Precursors

    Colorant 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

    • ISO 9001:2015 Certified Quality Management for color chemical synthesis
    • OEKO-TEX® Standard 100 compliance for textile chemicals
    • ZHDC MRSL (Manufacturing Restricted Substances List) stipulations
    • GHS labeling and safe handling protocols

    Typical usage ratio

    • Usually 3%–9% (w/w) of total dye precursor batch; adjusted based on desired extinction coefficient and final application substrate

    Downstream process integration

    • Condensed with aromatic amines/phenols in azo or anthraquinone pigment synthesis
    • Undergoes reduction to amines, followed by coupling reactions
    • Monitored for conversion by UV-Vis absorbance to maintain shade reproducibility

    Final product types

    • Trifluoromethylated azo and anthraquinone dyes for synthetic fibers
    • Technical grade pigments for high-performance coatings
    • UV- and solvent-stable industrial inks

    4. Electronic Chemicals—Liquid Crystal and OLED Material Precursor

    In 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

    • IEC 62474: Material Declaration for Electronics
    • RoHS Directive (2011/65/EU) for hazardous substances
    • ISO 9001/14001 certified process tracks
    • JIS C 0950 environmental labeling (Japan)

    Typical usage ratio

    • Utilized at 1.5%–5% (w/w) of liquid crystal monomer feedstock, depending on viscosity and clearing point targets

    Downstream process integration

    • Condensed into the monomer backbone by transition metal-catalyzed coupling reactions
    • Isolated and further reacted to form biphenyl or terphenyl end groups
    • Product purity is routinely monitored using GC-MS and HPLC throughout process stages

    Final product types

    • Liquid crystal display (LCD) monomers
    • Intermediate structures for OLED emitters/transport layers
    • Specialty fluoroaromatic materials for photonic devices

    5. Fine Chemical Synthesis—Catalyst Ligands and Specialty Reagents

    Producers 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

    • ISO 9001 Certified Quality Management for fine chemical production
    • European Chemicals Agency (ECHA) Registration
    • GHS chemical labeling and transport regulations
    • Internal Analytical Validation SOPs

    Typical usage ratio

    • Varies between 4% and 10% (mol/mol) in ligand or reagent synthesis, based on substrate complexity and catalyst loading requirements

    Downstream process integration

    • Added during the initial synthesis of organometallic ligand frameworks
    • Employed as functionalizing agent in fluorinated reagent production
    • Quality assured by NMR and HRMS before use in catalytic applications

    Final product types

    • Phosphine or nitrogen-based ligands for Pd, Pt, or Ni catalysts
    • Activated trifluoromethylation reagents
    • Intermediates for high-purity specialty reagents
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    Certification & Compliance
    More Introduction

    2-Nitro-4-(Trifluoromethyl)Benzonitrile: Practical Experience Shaping Reliable Sourcing

    Insights From the Manufacturer’s Perspective

    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.

    Production Consistency Backed by Real Output

    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.

    Structural Differences That Matter To Chemists

    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.

    Real-World Applications—Why Users Keep Returning

    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.

    Comparing Our Product to Other Benzonitrile Intermediates

    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.

    Technical Realities and Daily Production Challenges

    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.

    Delivering on User Expectations—Why Experience Matters

    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.

    Beyond Purity—Stability and Handleability

    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.

    Sustainability and Compliance—Factoring in the Full Picture

    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.

    Direct Manufacturer’s Support and Partnership

    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.

    Challenges, Solutions, and Building Long-Term Value

    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.

    Looking Ahead: Continuing to Meet Evolving Needs

    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.