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1,3,5-Trifluoro-2-Nitrobenzene

    • Product Name 1,3,5-Trifluoro-2-Nitrobenzene
    • Alias 1,3,5-Trifluoro-2-nitrobenzene
    • Einecs 213-629-2
    • 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
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    Specifications

    HS Code

    792122

    Chemicalname 1,3,5-Trifluoro-2-Nitrobenzene
    Casnumber 446-81-1
    Molecularformula C6H2F3NO2
    Molecularweight 177.08
    Appearance Pale yellow solid
    Meltingpoint 46-50°C
    Boilingpoint 84-86°C at 23 mmHg
    Density 1.602 g/cm3
    Solubility Soluble in organic solvents like DMSO, chloroform
    Purity Typically ≥98%
    Smiles FC1=CC(=C(F)C(=C1[N+](=O)[O-])F)
    Inchi InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(12)13)2-5(3)9/h1-2H
    Refractiveindex 1.535 (predicted)
    Logp 2.02 (estimated)
    Storagetemperature Store at 2-8°C

    As an accredited 1,3,5-Trifluoro-2-Nitrobenzene 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, sealed with a screw cap. Label displays chemical name, formula, hazard symbols, and handling instructions.
    Shipping 1,3,5-Trifluoro-2-nitrobenzene is shipped as a hazardous chemical, typically in tightly sealed containers compliant with transport regulations. It should be protected from light, heat, and incompatible substances. Proper labeling, documentation, and use of protective packaging are essential to ensure safe handling during transit in accordance with relevant DOT, IATA, and IMDG guidelines.
    Storage 1,3,5-Trifluoro-2-nitrobenzene should be stored in a tightly closed container, in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible substances such as strong bases and reducing agents. Protect from moisture and direct sunlight. Store it in a dedicated chemical storage cabinet, clearly labeled, with secondary containment to prevent spills or leaks.
    Application of 1,3,5-Trifluoro-2-Nitrobenzene

    Applications of 1,3,5-Trifluoro-2-Nitrobenzene in Industrial Manufacturing

    1,3,5-Trifluoro-2-Nitrobenzene supports key synthesis pathways as an advanced intermediate in several industrial sectors. Our application insights reflect direct production practice, giving decision-makers in B2B procurement and R&D clear, detailed integration guidelines at the process and compliance level.

    1. Pharmaceutical Intermediate for Fluorinated Active Pharmaceutical Ingredients (APIs)

    Original pharmaceutical companies use this raw material in the construction of trifluoromethyl-substituted aromatic scaffolds for small-molecule APIs, especially in anti-infective and oncology drug synthesis. The aromatic substitution pattern offers specific regioselectivity needed for further nucleophilic aromatic substitution or reduction steps, allowing downstream functionalization according to drug discovery protocols. QC testing ensures low levels of residual starting materials and strict traceability. Integration in GMP-controlled environments is routine, subject to detailed analytical documentation and validated processing.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU EudraLex Volume 4 GMP Guidelines Part II
    • US FDA 21 CFR Part 211
    • Chinese Pharmacopoeia chemical intermediate purity standards (as applicable)

    Typical usage ratio

    • Intermediate is charged at 1.1 - 1.3 mole equivalents versus the target aryl amination or nucleophilic partner, adjusted per specific synthetic route yield optimization

    Downstream process integration

    • Feeds directly into nucleophilic aromatic substitution (SNAr) with amines; enters reduction sequences to form aniline derivatives; used in Suzuki coupling for aryl extension

    Final product types

    • Oral and injectable APIs with fluorinated aromatic groups (e.g., anticancer compounds, antiviral agents)
    • Pharmaceutical chemical intermediates for patent-protected molecules

    2. Agrochemical Intermediate for Trifluoroaromatic Pesticide Synthesis

    Major agrochemical groups purchase this material for synthesis of select pre-emergence and post-emergence herbicides, as well as specialty fungicides. R&D chemists use its defined fluorine substitution pattern to adjust lipophilicity and metabolic stability in active molecules. Manufacturing lines operate under environmental and safety controls specific to crop protection chemical production, where trace contaminant profiling is included in QA release.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for chemical manufacturing
    • FAO and WHO specifications for pesticide technical materials
    • REACH registration for Europe (EC No. 1907/2006)
    • US EPA Registration Data Requirements 40 CFR Part 158

    Typical usage ratio

    • Applied at 0.8 - 1.5 molar equivalents relative to the coupling partner (halide, amine, etc.), optimized according to downstream conversion and impurity thresholds

    Downstream process integration

    • Introduced during ProTect step as an initial ring precursor; key input for SNAr, nitro-reduction, then final acylation or sulfonation in multi-step protocols

    Final product types

    • Trifluoromethylated herbicides (e.g., fluorinated aniline-based products)
    • Systemic fungicide actives based on modified benzenoid structures

    3. Electronic Chemicals: Precursor for High-Performance Liquid Crystal Monomers

    Producers of display-grade liquid crystal monomers employ this chemical as a structural building block for synthesizing key intermediates with well-defined polarizability and chemical robustness. Manufacturers depend on its chemical purity for low-ion contaminant levels, supporting stringent impurity profiles in thin film transistor (TFT) and OLED materials supply chains. The compound enters stage-gated nitrogen reduction and subsequent coupling reactions, where temperature and reaction solvent selection influence yield and film performance results.

    Industry compliance standards

    • IEC 61249-2-51 standards for halogen-free electronic materials
    • RoHS 2011/65/EU and its amendments on restricted substances
    • REACH Annex XVII for SVHC compliance in electronics production

    Typical usage ratio

    • Typically 1.0 - 1.2 equivalents in sequential reduction and alkylation steps per monomer unit, regulated by end-use display polarization requirements

    Downstream process integration

    • Uses include stepwise dinitro reduction, etherification or amination before final monomer assembly for display liquid crystals; enters oligomer synthesis for LCD and OLED layers

    Final product types

    • High-performance liquid crystal monomers for TFT-LCD panels
    • Oligomers and specialty intermediates for OLED and flexible electronic displays

    4. Fine Chemical Intermediate for Specialty Polymer Synthesis

    Specialty polymer manufacturers integrate this aromatic into polymer backbones to impart defined fluorinated character, boosting thermal stability and chemical resistance in end-use engineered plastics. Its unique substitution enables cross-linking or functionalization by nucleophilic displacement or palladium-catalyzed coupling, supplying the custom polymers market for electronics, automotive underhood, and advanced coatings. All manufacturing lots undergo batch traceability and end-point chromatographic purity validation before downstream blending.

    Industry compliance standards

    • ISO 9001 and ISO 14001 for quality and environmental management
    • UL 94 V-0 flame retardancy certification for polymer applications
    • US EPA TSCA requirements for use in new polymeric substances where applicable

    Typical usage ratio

    • Charged at 2 - 10% by monomer weight depending on the degree of fluorination and backbone integration in targeted polymer functionality

    Downstream process integration

    • Integrated at the monomer formation or chain extension stage, including direct SNAr functionalization and Suzuki coupling during batch or continuous polymerization

    Final product types

    • Fluorinated engineering plastics and copolymers for electronics and automotive
    • Specialty resins and coatings with enhanced solvent and thermal resistance
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    Certification & Compliance
    More Introduction

    1,3,5-Trifluoro-2-Nitrobenzene: Precision Chemistry from the Manufacturer

    Understanding 1,3,5-Trifluoro-2-Nitrobenzene in Practical Use

    Manufacturing specialty fluorinated aromatic compounds often looks like a balancing act. Every parameter—purity, moisture, trace impurities—directly impacts how the molecule performs in the end application. For 1,3,5-Trifluoro-2-Nitrobenzene, these questions aren't just academic. The exacting requirements of pharmaceutical research, specialty agrochemicals, and materials science show us in daily work how small changes during synthesis can ripple forward to the final outcome.

    Our process for making 1,3,5-Trifluoro-2-Nitrobenzene, commonly called TFNB, relies on careful selection of raw materials. Experience has shown us that upstream decisions, such as purity of fluorinated feedstock, make a difference in the stability and color of the finished product. We invest in analytical controls that track halide byproducts and moisture at each stage. TFNB lends itself to further functionalization—our clients in pharmaceutical discovery use it as a scaffold in heterocyclic syntheses, and it seldom stays long on the shelf.

    Model and Specifications: What Matters in Day-to-Day Applications

    We supply TFNB as a crystalline solid, typically with purity no less than 99.0%. Most applications ask for control of moisture and limit on single impurities, not just total impurity content. Standard product passes rigorous HPLC and NMR analysis on every batch. We focus our efforts on controlling hydrofluoric acid traces and residual starting materials; even minor excesses produce observable impacts on reaction selectivity. Laboratories aiming to derivatize the ring rely on this reproducibility.

    Running kilo-scale batches, we have seen that poor control of distillation can alter melting point and color. Users synthesizing advanced pharmaceutical intermediates often tell us how even yellowish tints affect subsequent yields. That feedback drives us to tune our purification cycles and hold ourselves to higher standards than the commodity market. Most of the TFNB we ship registers nearly colorless, and water content consistently stays below 0.1%.

    Applications: Experiences from the Manufacturing Floor

    The real value of TFNB shows in downstream chemistry. Its three strategically placed fluorine atoms allow selective substitutions, a trick rarely possible on non-fluorinated intermediates. Medicinal chemists working with structure-activity relationships put a high premium on this scaffold. In our conversations with research chemists, they often stress how trifluoro-substitution modulates both electronic and metabolic properties—essential for candidates heading toward toxicology testing.

    TFNB finds use in the synthesis of building blocks for agrochemicals and active pharmaceutical ingredients. Its electron-deficient aromatic ring resists oxidation, which helps in handling during large-scale reactions. Agrochemical customers prize the stability that comes from both the nitro and fluoro groups; such robustness extends shelf life in storage and reduces loss during formulation. Research teams working on new crop protection agents often share data on how ring substitution ultimately affected field performance, and those insights cycle back into our quality targets.

    We have supported projects where TFNB underwent nucleophilic aromatic substitutions, with groups like amines replacing the nitro group. Reaction yields track closely with material quality. Over the years, we noticed that scaling from flask to reactor can introduce batch-to-batch differences—something that can squander time and resources in development. Chemists counting on reliable TFNB see fewer failed runs, which racks up real cost savings over the project span.

    Differences from Other Trifluorinated Nitrobenzenes

    The structure of TFNB sets it apart from related compounds like 2,4,6-trifluoronitrobenzene or ortho- and para-substituted versions. Small shifts in fluorine positioning alter reactivity profiles. The 1,3,5-arrangement on TFNB fosters unique selectivity in nucleophilic aromatic substitution, not replicable with 2,4,6-isomers. That difference becomes stark in combinatorial chemistry, where one synthesis outcome can mean the difference between a dead-end and a breakthrough.

    We've encountered both academic and industrial groups trying to substitute TFNB with less expensive mono- or di-fluorinated nitrobenzenes. Outcomes usually disappoint. One client in agricultural chemistry noted how switching to 2,4-difluoronitrobenzene produced a cocktail of isomers with lowered crop protection potency. For complex multinational R&D efforts, failure to match these selectivity profiles trickles down as regulatory hurdles and patent ambiguities.

    From a manufacturing viewpoint, TFNB's higher fluorine loading increases hazardous waste complexity, but also allows for cleaner target molecule production with fewer purification demands downstream. We make it a habit to share our process learnings with downstream partners. Issues with competing products typically trace back to the lack of robust controls for halogen balance during production. Feedback loops with repeat customers validate that their processed intermediates contain lower levels of hydrolysis byproducts when starting with properly synthesized TFNB.

    Issues with Scalability and Real-World Manufacturing Challenges

    Scaling up TFNB production brings its share of technical challenges. The synthesis calls for exacting temperature and pH control to avoid over-nitration and incomplete fluorination. Every stream must get sampled for checks on acid content and fluoride release. Our staff often cross-train on analytics, not as a luxury, but as necessity: small lab mistakes can cascade into batch failures during scale-up. Early efforts at multi-ton output delivered lessons—retooling reactors for corrosion control, frequent maintenance, and persistent monitoring of vent gas capture.

    Batch consistency relies as much on crew training and technical discipline as it does on capital investment. Human error plays a real part in process upsets. For example, during winter months, we track air moisture entering storage tanks as tightly as we check raw material purity. At colder temperatures, traces of water cause clumping in the crystalline product and fail downstream customers’ dissolution specs. Cross-department reviews of customer complaints guide adjustments in dry-room procedures, packaging choice, and even distribution timelines.

    Ventilation and effluent controls make up a significant chunk of operational cost. TFNB’s manufacture generates fluoride-laden byproducts, which demand specialized treatment before discharge. In earlier years, simple water scrubbing sufficed. Now, regulatory thresholds for fluoride emissions pushed us to invest in advanced neutralization and real-time ion monitoring. Maintaining those controls runs up operational expense but protects our long-term relationships with both local regulators and our R&D partners.

    Insights from Working with Specialty End Users

    The most engaged customers—those performing stepwise synthesis in the pharma or agrochemical sector—provide detailed feedback about how our TFNB interacts with other building blocks. Issues like copper-catalyzed coupling yields, solubility in polar aprotic solvents, and shelf stability all come up. One pharmaceutical partner shared how changing TFNB vendors led to unanticipated side products in scale-up, with deeper trace analysis showing subtle differences in halogen impurities. We took this as a sign to tighten internal specs even further. Such feedback helps us maintain a reputation for reliability, since our own production success depends on the downstream success of these innovators.

    We learn a lot from mistakes in real projects. Years ago, a large-scale agricultural formulation project discovered their TFNB batch didn’t fully dissolve in standard preparation solvents. Digging through the chain of custody, it became clear that insufficient drying at our end led to aggregation. Rather than play the blame game, both teams collaborated around the best packing solvents for TFNB, resulting in new packaging protocols. This partnership approach now sits at the heart of how we troubleshoot complaints and optimize our products for each application.

    Continuous Process Improvement: Adaptation in Chemical Manufacturing

    Chemical manufacturing never stands still. Specifications evolve as new synthetic strategies emerge. Analytical techniques get sharper—today, LC/MS and ICP help us track impurities the old batch GC would have missed. By comparing data from hundreds of batches, we tune our workflow for greater reproducibility, whether that means tweaking reaction dwell times, upgrading filtration materials, or enhancing staff training.

    One trend in recent years: customers want more transparency in their supply chain. For TFNB, we offer a robust certificate of analysis with direct batch traceability, not just standard product specs. R&D teams investigating new biologically active molecules want to know the exact impurity fingerprint, the background of the raw materials, and our approach to environmental responsibility. Internal audits and open conversations with both customers and regulators help us stay ahead of evolving compliance standards.

    We’ve faced increasing requests for waste minimization and green chemistry options. In our lab, we pilot alternative fluorination reagents, recycle solvents, and reduce single-use containers. Cost pressures exist, but so does the need to anticipate downstream regulatory scrutiny. We invest in process research not just for our own efficiency, but also in solidarity with customers accountable for their own sustainability benchmarks.

    Broader Market Trends Impacting Demand and Development

    Global demand for sophisticated fluorinated intermediates like TFNB tracks closely with developments in medicinal chemistry and crop protection. Introduction of more stringent compliance requirements in North America and Europe affects how we plan batch scheduling, reporting, and even shipping logistics. As more countries regulate persistent organic pollutants, responsible sourcing and lifecycle analysis grow in importance.

    Price volatility for upstream fluoroaromatic feedstocks periodically squeezes margins and can delay order fulfillment. Over the years, we have mitigated risk by forming diversified supply partnerships and developing in-house synthesis options for critical precursors. It helps keep prices stable for repeat customers and reduces the interruption risk on strategic R&D projects.

    Digitalization finally touches the chemical sector in noticeable ways. Data logging, real-time process analytics, cloud traceability—all these help reduce human error. Our own facility now archives batch histories and all test records to a searchable database, supporting customer audits and recall tracing. We view this transparency as both a risk management tool and an enabler for long-term business growth.

    Looking Ahead: Manufacturer’s Role in Quality and Collaboration

    Manufacturing TFNB isn’t just about shipping product by the drum or kilogram. Our facility, staff, and partners share responsibility for each molecule’s journey from precursor to final application. Every feedback loop, every failure analysis, every process tweak adds layers of know-how that get passed on in the next production cycle. Scientific literature will tell one story, but true progress shows up in fewer missed deadlines, better yields, and researchers returning for another kilogram because the last batch delivered exactly what they needed.

    As new applications for TFNB emerge—in electronics, novel materials, or next-generation pharmaceuticals—we keep a close watch on trends but never lose sight of the basics: clean chemistry, honest feedback, reliable documentation. The customer challenges and market pressures continue to evolve. Success depends on adaptation, shared expertise, and the willingness to go back to the bench when something doesn’t work. This approach, born of decades of manufacturing experience and daily problem-solving, makes all the difference in specialty chemicals manufacturing.