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3-Cyano-4-Fluorobenzotrifluoride

    • Product Name 3-Cyano-4-Fluorobenzotrifluoride
    • Alias 3-Cyano-4-fluoro-α,α,α-trifluorotoluene
    • Einecs 408-360-1
    • 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

    437784

    Cas Number 40161-54-4
    Molecular Formula C8H3F4N
    Molecular Weight 189.11 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 180-182 °C
    Melting Point -5 °C (approximate)
    Density 1.376 g/cm³
    Purity Typically >98%
    Flash Point 66 °C
    Solubility Insoluble in water, soluble in organic solvents
    Synonyms 3-Cyano-4-fluorobenzotrifluoride; 4-Fluoro-3-(trifluoromethyl)benzonitrile
    Refractive Index 1.466
    Storage Conditions Store at room temperature, tightly closed

    As an accredited 3-Cyano-4-Fluorobenzotrifluoride factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 500g amber glass bottle with chemical-resistant cap, labeled "3-Cyano-4-Fluorobenzotrifluoride," includes hazard symbols and handling instructions.
    Shipping **Shipping Description for 3-Cyano-4-Fluorobenzotrifluoride:** Ship in tightly sealed containers, protected from physical damage and moisture. Store and transport according to local, national, and international chemical safety regulations. Ensure appropriate hazard labeling—this compound may be harmful if inhaled or ingested. Handle under well-ventilated conditions, and keep away from incompatible substances and sources of ignition.
    Storage 3-Cyano-4-Fluorobenzotrifluoride should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from incompatible substances such as strong oxidizers. Protect from moisture and direct sunlight. Store at room temperature and keep away from sources of ignition. Ensure that proper chemical labeling is present and follow all relevant safety protocols.
    Application of 3-Cyano-4-Fluorobenzotrifluoride

    Applications of 3-Cyano-4-Fluorobenzotrifluoride in Industrial Manufacturing

    As a dedicated manufacturer of 3-Cyano-4-Fluorobenzotrifluoride, we consistently serve global industrial partners with high-purity chemical intermediates supporting key downstream sectors. The following section highlights established real-world uses where this material is an integral synthetic building block, offering specialized performance in agrochemical synthesis, pharmaceutical intermediates, advanced materials, and specialty chemical production.

    1. Herbicide Intermediate for Pyridine-Type Agrochemicals

    In large-scale herbicide manufacturing, 3-Cyano-4-Fluorobenzotrifluoride is an advanced fluorinated benzene derivative introduced during multi-step synthesis of pyridine-based active ingredients used for crop protection. It provides specific electronic and steric characteristics leading to the designed selectivity and bioactivity of modern herbicidal compounds. Major agrochemical companies incorporate this intermediate into their proprietary synthetic routes for next-generation broad-spectrum herbicides targeting resistant weed species.

    Industry compliance standards

    • FAO/WHO Specification for Pesticides (FAO/WHO 2019)
    • REACH Regulation (EC) No. 1907/2006—Annex XVII (for EU)
    • ISO 9001:2015 Certified Quality Management for fine chemicals
    • Sustainable Use Directive 2009/128/EC (Europe)

    Typical usage ratio

    • Employed at 0.5%–2.5% molar ratio relative to total precursor mass in key coupling or condensation steps, adjusted according to the desired crop spectrum and end-herbicide formulation potency requirements.

    Downstream process integration

    • Added following aromatic nitrile activation in the multi-step synthesis, before cyclization and chlorination steps commonly used in the formation of pyridine-type frameworks.

    Final product types

    • Pyridine-derivative herbicides (e.g., fluazifop, quizalofop analogs)
    • Registered crop protection products developed by multinational agrochemical firms
    • Bulk technical active ingredients supplied to formulation plants

    2. Pharmaceutical Intermediate for Central Nervous System (CNS) Drug Synthesis

    Pharmaceutical manufacturers utilize 3-Cyano-4-Fluorobenzotrifluoride as a specialty building block in routes synthesizing CNS-active molecules, particularly for molecules with fluorinated aromatic motifs. Its electronic and structural properties enable key transition-metal catalyzed cross-coupling, often in Suzuki or Buchwald–Hartwig reactions, as part of the core structure assembly for antipsychotic and antidepressant drug substances in early process development and scale-up.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • cGMP compliance under US FDA 21 CFR Part 211
    • EU GMP EudraLex Volume 4
    • USP/Ph. Eur./JP monograph referential standards for intermediates

    Typical usage ratio

    • Typically applied at a 1:1 molar equivalence during key aromatic substitution or condensation steps, but process chemists may adjust between 0.8–1.3 equivalents based on impurity profile and target yield during scale-up optimization.

    Downstream process integration

    • Charged directly into reactors at the electronic activation stage for C–N or C–C bond formation, prior to chiral resolution or final deprotection as required for API synthesis.

    Final product types

    • Pharma-grade CNS drug intermediates
    • Active pharmaceutical ingredients (e.g., antipsychotic compounds with fluorinated benzene moieties)
    • Small molecule drug candidates for clinical research and commercial production

    3. Functional Monomer Precursor in Specialty Polymer Manufacturing

    Manufacturers of high-performance polymers select 3-Cyano-4-Fluorobenzotrifluoride as a reactive intermediate for introducing fluorinated aromatic units into specialty copolymer backbones. Its cyano and trifluoromethyl functionalities offer enhanced resistance to solvents, thermal stress, and UV degradation, crucial in end uses such as membranes, wire insulation, or functional coatings for electronics and industrial plants.

    Industry compliance standards

    • RoHS Directive 2011/65/EU for electronic materials
    • IEC 60695-11-10 Flammability Classification for plastics
    • ISO 9001:2015 Quality Management for polymer processing
    • REACH Regulation Annex XVII—Polymers, where applicable

    Typical usage ratio

    • Incorporated at 1%–10% of total monomer feedstock, depending on the desired fluorine content in the final polymer and targeted performance in electrical or chemical resistance applications.

    Downstream process integration

    • Introduced during monomer blending, followed by controlled radical or step-growth polymerization, prior to extrusion or post-polymerization modifications.

    Final product types

    • Fluorinated specialty copolymers and high-resistance plastics
    • Protective coatings, insulating varnishes, and chemical-resistant films
    • Membrane materials for filtration and fuel cell elements

    4. Intermediate for Specialty Dye and Pigment Manufacture

    Producers of specialty dyes and high-stability pigments use 3-Cyano-4-Fluorobenzotrifluoride as a starting material for synthesizing novel heterocyclic and aromatic pigment structures. Its specific ring substitution pattern enhances dye fastness, chemical resistance, and photostability, supporting the needs of inks and coatings for industrial, automotive, and security printing markets.

    Industry compliance standards

    • EN 71-3:2019 (European toy safety migration for colorants)
    • ISO 18451-1:2019 Pigments and Extenders
    • China GB/T 17650.2-2017 for ink applications
    • REACH Regulation—Annex XVII for pigments and colorants

    Typical usage ratio

    • Integrated into pigment precursor synthesis at 0.2–1.5 mole equivalents, with the exact amount determined by the chromophore structure and performance characteristics of the target dye batch.

    Downstream process integration

    • Used in the initial condensation reaction before azo-coupling or subsequent halogenation, leading into final pigment assembly and purification stages.

    Final product types

    • Industrial-grade specialty dyes with enhanced weathering stability
    • Pigments for plastics, high-tech coatings, and security ink formulations
    • Automotive and textiles color additives requiring high chemical resistance

    5. Building Block for Advanced Liquid Crystal Material Synthesis

    Manufacturers in the electronic display sector deploy 3-Cyano-4-Fluorobenzotrifluoride as a niche precursor for key mesogenic units in liquid crystal compound libraries. Its rigid, fluorinated structure directly impacts phase transition temperature and dielectric anisotropy, supporting production of high-performance nematic and cholesteric mixtures for next-generation LCD and OLED displays.

    Industry compliance standards

    • IEC 61249-2-41 Halogen-Free Requirements (where applicable)
    • ISO 9001:2015 for electronic material manufacturing
    • RoHS 3 Directive 2015/863/EU
    • REACH Compliance for advanced organic intermediates

    Typical usage ratio

    • Typically included at 0.3%–2.5% total mass in proprietary liquid crystal blend recipes, fine-tuned for desired birefringence and viscosity in the application-specific mixture.

    Downstream process integration

    • Introduced at the aromatic framework synthesis step before selective etherification and esterification required for construction of the functional mesogen structures.

    Final product types

    • Nematic and cholesteric liquid crystal mixtures for high-resolution displays
    • High-performance LC host compounds for screen manufacturing
    • Materials for OLED and advanced flat-panel display modules
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    Certification & Compliance
    More Introduction

    Introducing 3-Cyano-4-Fluorobenzotrifluoride: Chemical Insights from the Manufacturer’s Shop Floor

    Meet the Product: From Lab Formulation to Real-World Application

    3-Cyano-4-Fluorobenzotrifluoride remains a valuable molecule across fine chemical and pharmaceutical production. At our manufacturing facility, we dedicate our resources to both the synthesis and purification of this intermediate, ensuring reliable supply for customers building next-generation active ingredients, specialty polymers, and crop protection agents.

    Teams on our shop floor craft 3-Cyano-4-Fluorobenzotrifluoride by coupling high-purity 4-fluoro-3-trifluoromethylbenzonitrile with select halogenation steps and proprietary workup techniques. We see the differences clear as day every production run: unlike standard fluoro-benzonitriles, this model—distinguished by its cyano and trifluoromethyl groups—delivers a stronger electron-withdrawing effect and less background reactivity with common nucleophiles. Synthetic chemists often favor this molecular backbone because it anchors tough carbon-fluorine bonds, survives robust conditions, and minimizes side-reactions that complicate downstream steps.

    Physical & Chemical Properties: Why High Purity and Consistency Matter

    Operating in the chemical manufacturing field exposes you to the hard realities of variable batches, purity drift, and odd byproducts. We address those every day by tuning our reaction conditions—right from raw material selection, temperature control, vacuum drying, and advanced distillation. 3-Cyano-4-Fluorobenzotrifluoride emerges as a clear, slightly yellowish liquid under ambient conditions, stable in glass, and non-hygroscopic. Its molecular formula, C8H3F4N, guides our analytical testing. High-performance liquid chromatography and gas chromatography both confirm that our typical batches meet 99% minimum purity, with single-digit ppm levels of starting materials, and no significant residual solvents or organics outside the target range.

    We do not rely solely on purity numbers—real-world feedback from partners in API synthesis and agrochemical pilot plants comes back to us directly. They report reduced workup headaches and far fewer chromophoric byproducts when switching from generic suppliers. It becomes especially apparent during scale-up, where impurity build-up can destroy yield and clog reactors. We put a premium on batch documentation, tracking every parameter that could affect crystal shape, melting point, and long-term storage stability.

    Where This Compound Fits: End Uses and Value to Next-Stage Synthesis

    Most of the demand we see for 3-Cyano-4-Fluorobenzotrifluoride stems from its role as a starting block for new functional molecules. Medicinal chemistry teams use it for attaching polar groups or other fluoro substituents, adjusting biological activity or solubility. In the world of crop science, chemists select this scaffold for building selective herbicides and pesticides, tapping the unique electronic structure of the cyano and trifluoromethyl groups for better metabolic stability and activity duration.

    Specialty polymer innovators approach us to access this compound for fluorinated monomer production, bringing extra durability and chemical resistance. Our broader customer base continues to ask for new derivatives that build off this skeleton—such as etherified or aminated versions—using our stock as their core modular input. Each time clients pursue a new analog, our support team goes back through archived spectra, reaction yields, and impurity profiles, recommending tailored purification or catalyst choices.

    Differences from Other Benzotrifluorides: Finding Real Performance Differentiators

    Not all benzotrifluorides stand on equal footing. Years of watching routine processes and market shifts have shown us that most off-the-shelf benzonitriles come with unpredictable impurity loads. But 3-Cyano-4-Fluorobenzotrifluoride carries two high-impact structural features—the cyano at the 3-position and the fluorine at the 4-position. Combined with the trifluoromethyl group, they set this product apart. It survives harsher processing, gives cleaner halogenations, and helps our customers cut down on repetitive purification steps, sometimes saving entire workdays downstream.

    Compared to simpler fluorobenzotrifluorides, chemists see a much lower risk of parasitic Friedel-Crafts reactivity and unintended aromatic substitution, especially under high-acidity or temperature. Other models without the cyano or with different halogen positioning often give higher boiling residues or dark bromination byproducts—an issue regularly flagged in scale-up QA data. We focus on educating customers about the knock-on effect of these differences, guiding process planning, and minimizing off-spec incidents in long campaigns.

    Lessons Learned on Scale-Up, Storage, and Application

    We have seen first-hand that moving from the kilo lab into full-scale drum lots uncovers hidden hurdles. Our plant teams invest in advanced inert-atmosphere technology to maintain shelf-life—air, moisture, and light do not trouble our barrels. Still, we recommend our clients keep compounds under nitrogen or argon to guard against gradual hydrolysis after partial openings. Inside our facility, real-time analytics shape every pipeline decision. Repeated experience tells us that a stable, dry, and cool environment locks in color and purity over months to years, rather than just meeting basic compliance.

    Working with production and R&D clients, we notice the importance of packaging formats. Many processes benefit from direct charging—taking the compound from container straight into reactors without repeated exposure. We respond to customer needs by offering container sizes matching use patterns, whether for small campaigns or routine multi-ton orders.

    Supporting Sustainable Development and Compliance

    Operating as a chemical manufacturer brings tough choices about environmental stewardship, worker safety, and resource management. Every synthesis of 3-Cyano-4-Fluorobenzotrifluoride at our plant comes with a clear focus on waste minimization and responsible solvent recovery. Closed-loop reactors and distillation units recapture fluorinated solvents. Energy and water use reporting drives our ongoing efforts to optimize every batch for resource efficiency.

    Our material has found acceptance with multinationals auditing us regularly for GMP readiness and long-term sustainability. All finished lots ship with traceable batch records—including relevant analytical scans, impurity breakdown, and documentation of compliance with region-specific regulations covering restricted substances or controlled process emissions.

    Feedback, Innovation, and Ongoing Improvements

    We never consider our role finished at the point of delivery. Chemical producers must adapt to evolving synthesis pathways, green chemistry targets, and regulatory expectations. Our development chemists meet regularly with quality and technical service colleagues to exchange customer feedback, compare technical hurdles, and brainstorm process upgrades. Several recent improvements—such as inline impurity removal and solvent reduction protocols—came directly from actual production line issues encountered during challenging campaigns.

    Many requests coming into our technical service desk highlight the fine points users value: solubility in mixed-phase systems, compatibility with new halogenating agents, and predictable behavior during high-throughput screening. We maintain reference samples and archive analytical benchmarks on each batch, so we can answer customer queries about spectral shifts, reaction kinetics, or storage conditions based on actual data. Customers gain the confidence that process mishaps won’t go unsolved, and scaling up successful bench chemistry to pilot scale stands on a reliable foundation.

    Industry Partnerships Built on Trust and Experience

    Our daily work connects us with formulation scientists, technical buyers, regulatory reviewers, and downstream processing teams. Long-standing relationships count when critical deliveries hinge on custom batch timing or specification tweaks. We share real-time process status with supply chain partners so that everyone keeps contingency plans up to date. Problems get addressed fast when both sides speak the language of manufacturing detail.

    Each year, new R&D ventures approach us for joint development, tapping both our compound and our process experience. The interplay between their application goals and our continuous improvement helps us evolve the manufacturing process to meet shifting performance and purity requirements.

    Challenges and Future Outlook

    Nobody in chemical manufacturing expects smooth sailing all the time. Sourcing high-purity building blocks challenges reliable production, especially as global logistics tighten. We prepare by qualifying multiple sources and maintaining safety stock to minimize disruption. As new applications—such as advanced fluoromaterials and drug discovery tools—put greater demands on purity and reproducibility, we update our analytical protocols, process flows, and storage logistics.

    Green chemistry drives us toward less hazardous reagents, safer cleaning operations, and minimized solvent use. Plant upgrades and reaction monitoring equipment get reviewed on a multi-year schedule. In recent years we’ve formalized cross-team crisis planning, regular environmental audits, and ongoing staff training to tackle batch deviations, incident prevention, and regulatory compliance. Every improvement comes out of lessons learned directly from people actually producing and shipping the material.

    Why Direct Manufacturing Matters to End Users

    Dealing directly with a manufacturer removes layers of misunderstanding and delay. Product traceability, technical support, and supply flexibility all improve when customers come to the source. We provide historical data, application notes, and custom packaging with certainty, drawing on our own process records—not secondhand information. That direct connection speeds up problem solving, lets us rapidly tweak quality specs, and creates confidence in both routine and emergency supply situations.

    By working closely with users, we ensure that each batch does not just meet a list of specifications, but fits its real-world use in medicines, polymers, and agrochemical pipelines. Our reach extends beyond point-of-sale; after-sale support, troubleshooting failed reactions, or quick advice about handling and storage all come with the territory. These day-to-day practices build strong trust, reduce risk, and help customers focus on the research and process improvements that matter most.

    The Path Ahead for 3-Cyano-4-Fluorobenzotrifluoride

    We see a future for this product in more advanced applications—sensor design, fluoropolymer innovation, next-generation drug scaffolds—where purity, reliability, and precise analytical backing stand as the difference between breakthrough and failure. Our labs stay on alert for hints of what users want next: new isomer ratios, custom particle sizes, better process economy, or enhanced regulatory profiles. Ongoing dialogue with chemists and engineers lets us trace small changes in application strategy back to improved manufacturing practices here on the ground.

    Every shipment reflects hard-earned manufacturing wisdom, many hours on the shop floor, and a constant commitment to improvement. We remain proud to deliver not just a product, but the confidence that comes from direct collaboration and continual investment in both our people and technology.