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3-(Trifluoromethyl)Phenoxyacetonitrile

    • Product Name 3-(Trifluoromethyl)Phenoxyacetonitrile
    • Alias 3-(Trifluoromethyl)phenoxyacetonitrile
    • Einecs 639-145-4
    • 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

    377978

    Chemical Name 3-(Trifluoromethyl)Phenoxyacetonitrile
    Synonyms 2-Cyano-1-(3-(trifluoromethyl)phenoxy)ethane
    Molecular Formula C9H6F3NO
    Molecular Weight 201.15 g/mol
    Cas Number 849062-11-5
    Appearance White to off-white solid
    Boiling Point No data available
    Melting Point No data available
    Density No data available
    Solubility Soluble in organic solvents
    Smiles C1=CC(=CC(=C1)OC(C#N))C(F)(F)F
    Inchi InChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2
    Storage Conditions Store in a cool, dry, well-ventilated area
    Refractive Index No data available

    As an accredited 3-(Trifluoromethyl)Phenoxyacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing A 25g amber glass bottle with a secure screw cap, labeled "3-(Trifluoromethyl)Phenoxyacetonitrile" and appropriate hazard warnings.
    Shipping 3-(Trifluoromethyl)Phenoxyacetonitrile is shipped in tightly sealed containers, protected from light, moisture, and incompatible substances. It is typically transported as a solid under ambient temperature. Compliant with relevant regulations, appropriate hazard labeling is used, and material safety data sheets (MSDS) accompany the shipment to ensure safe handling and emergency response.
    Storage 3-(Trifluoromethyl)Phenoxyacetonitrile should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from incompatible substances such as strong acids, bases, and oxidizing agents. Protect from direct sunlight, heat, and moisture. Use appropriate personal protective equipment, and ensure that storage areas are clearly labeled and access is restricted to trained personnel only.
    Application of 3-(Trifluoromethyl)Phenoxyacetonitrile

    Applications of 3-(Trifluoromethyl)Phenoxyacetonitrile in Industrial Manufacturing

    3-(Trifluoromethyl)Phenoxyacetonitrile serves as a critical building block for several highly specialized chemical syntheses in regulated industrial fields. As an original manufacturer, we supply this compound to diverse sectors that require advanced intermediates for agrochemical, pharmaceutical, and advanced materials production. The following breakdown provides application details for real downstream scenarios.

    1. Synthesis of Agrochemical Active Ingredients

    Formulators use this compound in the manufacture of selective herbicide and fungicide actives, where the trifluoromethyl motif offers enhanced metabolic stability and target specificity. It enters the synthetic route as a halogenated aromatic precursor in reactions such as etherification and cyanation, directly affecting the bioactivity profile of the resulting molecule while aiding compliance with local and international residue limits. Formulation scientists carefully optimize the dosage based on structure–activity relationships and regulatory toxicology data.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius Maximum Residue Limits
    • EPA 40 CFR Part 180—Tolerances and exemptions for pesticide residues
    • REACH Regulation (EC) No 1907/2006 requirements for agrochemicals
    • ISO 9001:2015 Quality Management Systems for chemical production

    Typical usage ratio

    • 5%–15% by molecular input for target synthesis step, adjusted according to crop-specific active ingredient requirements and downstream bioassay results

    Downstream process integration

    • Introduced at the early intermediate synthesis phase, most commonly via nucleophilic aromatic substitution
    • Further transformation to the final herbicidal or fungicidal core needs controlled temperature and basic aqueous media
    • Extensive GC/HPLC monitoring ensures batch-to-batch consistency and absence of process impurities

    Final product types

    • Foliar-applied herbicides with fluorinated aryl cores
    • Triazole or strobilurin class fungicides
    • Seed treatment actives for pre-emergence weed control
    • Custom agrochemical intermediates for multinational crop protection brands

    2. Pharmaceutical Intermediate for Specialty APIs

    Medicinal process chemists employ 3-(Trifluoromethyl)Phenoxyacetonitrile for molecular modification steps in the synthesis of select pharmaceutical APIs, including CNS drugs and anti-inflammatory agents. The nitrile group enables subsequent amide coupling or cyclization, while the trifluoromethyl moiety offers key metabolic attributes. Manufacturers perform detailed validation to ensure compliance with ICH-Q7 and pharmacopoeial standards.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP-NF and Ph. Eur. sections on starting materials and impurities
    • FDA 21 CFR Part 211—Current Good Manufacturing Practice in Manufacturing, Processing, Packing, or Holding of Drugs
    • Japanese Pharmacopoeia requirements for fluoroarene raw materials

    Typical usage ratio

    • Variable: 1–10 mol% as an advanced intermediate, based on reaction path optimization and final API yield calculations

    Downstream process integration

    • Typically reacts in early to mid-stage API synthesis
    • Organic solvents such as DMF or DMSO enable efficient cyanation or aromatic substitution
    • Inline purification and controlled crystallization follow, monitored per validated analytical procedures

    Final product types

    • Selective serotonin reuptake inhibitor (SSRI) core intermediates
    • Anti-inflammatory agent scaffolds
    • Pain management pharmaceutical actives
    • Building blocks for new chemical entity (NCE) development pipelines

    3. Advanced Material Synthesis—Fluorinated Polymer Precursors

    Producers of specialty polymers and coatings leverage the unique electronic properties of this compound when formulating advanced fluoroaromatic resins. The presence of both a nitrile and trifluoromethyl group allows custom monomer designs for high thermal resistance and low surface energy. Polymer scientists integrate this molecule as a chain modifier under tightly controlled reaction conditions, meeting strict specification requirements for high-performance materials.

    Industry compliance standards

    • ASTM D5388 for fluorinated polymer intermediates
    • ISO 14001:2015 Environmental Management Systems for chemical plants
    • RoHS Directive 2011/65/EU for materials used in electronics and electrical equipment
    • Relevant national chemical inventory registrations (e.g., US TSCA, EU REACH)

    Typical usage ratio

    • 2–12% molar ratio as a functional monomer or comonomer modifier, determined by target surface properties and end-use application requirements

    Downstream process integration

    • Introduced during initial resin synthesis or as a post-polymerization modifier
    • Requires inert atmosphere processing and precise catalyst dosing
    • Analytical verification ensures fluorine content and batch homogeneity

    Final product types

    • High-performance fluoropolymers for electronics encapsulation
    • Engineered coatings for anti-graffiti surfaces and self-cleaning glass
    • Solvent-resistant membranes for specialty filtrations
    • Low-friction composite tool components

    4. Fine Chemical Synthesis—Custom Aromatic Building Blocks

    Contract manufacturing organizations and custom synthesis firms use this compound for constructing complex substituted aromatics, which find application in dyes, OLED intermediates, and specialty perfume bases. Its dual reactive functionalities provide flexibility for stepwise transformations. Customers specify analytical targets and impurity profiles to align with industry and customer certification requirements.

    Industry compliance standards

    • ISO 9001:2015 for quality management in fine chemical production
    • GMP benchmark standards per customer contract (where required)
    • Hazardous Substances Control under local chemical safety regulations (e.g., EU CLP, OSHA HCS)
    • Documented traceability per client project agreement

    Typical usage ratio

    • Custom scaled from gram to multi-kilogram, typically 3–20% by mass of targeted synthesis, tuned to desired substitution pattern and downstream conversion efficiency

    Downstream process integration

    • Used as a precursor in sequential aromatic substitution, coupling, or reduction steps
    • Feeds directly into reactor streams for contract synthesis projects, under controlled batch or continuous flow conditions
    • LC-MS and NMR monitoring verify structural integrity and purity at each process step

    Final product types

    • High-purity intermediates for specialty dye synthesis
    • OLED emitters and charge transport layers
    • Scent molecule precursors for fine fragrance bases
    • Advanced photoinitiator building blocks
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    Certification & Compliance
    More Introduction

    Our Experience with 3-(Trifluoromethyl)Phenoxyacetonitrile: Innovation in Fluorinated Chemistry

    Groundwork and Expertise in Phenoxyacetonitrile Synthesis

    Anyone who spends their days behind the reactors and analytical equipment knows what separates a custom fluorinated intermediate from a commodity bulk chemical: strict process control, robust raw material selection, and a lab team that understands how to bring targeted molecules to high purity, every time. Our story with 3-(Trifluoromethyl)Phenoxyacetonitrile began years ago, driven by demand from agrochemical and pharmaceutical research groups. The first batches were challenging. Slight shifts in temperature or catalyst concentration produced unwanted byproducts—or ruined the crystalline structure entirely. We started this route on manual glassware setups, running small quantities, hands-on, logging every variance, and searching for the best purification steps. Scale-up required patience, careful validation, and a deep understanding of each reaction milestone.

    Specifications Grown by Practice

    We have fine-tuned our synthesis to offer 3-(Trifluoromethyl)Phenoxyacetonitrile with a purity consistently above 99% by HPLC. This wasn’t inherited from a textbook. Every specification reflects where real-world work paid off. Reproducibility demands more than a controlled environment; it comes from using only the highest grade starting materials, rigorously testing for trace metal contamination, and never rushing the crystallization phase.

    Water content falls below 0.2% by Karl Fischer titration, which addresses the sensitivity of downstream coupling reactions—moisture ruins yields and often triggers hydrolysis on the benzylic site. Residual solvents are monitored by GC, since even trace chlorinated solvent can disrupt subsequent Grignard or cross-coupling steps on the customer’s side. We run NMR spectra in-house, reading both aromatic and aliphatic peaks, confirming the integrity of the trifluoromethyl phenyl core and the acetonitrile group. On rare occasions, we’ve faced batch-to-batch GC-MS drifts; every event triggers an immediate review of both vendor material and operator technique.

    Why 3-(Trifluoromethyl)Phenoxyacetonitrile Matters to Applied Chemistry

    Industrial users come to us for this molecule with a clear objective—designing new crop protection agents, fine-tuning central nervous system drugs, or building molecular scaffolds for materials testing. Adding a trifluoromethyl substituent to a phenoxyacetonitrile backbone alters molecular properties in predictable, powerful ways. The strong electron-withdrawing nature of the CF3 group increases metabolic stability and lipophilicity. These features give downstream products better pharmacokinetic profiles, sometimes shifting the landscape for an entire drug class. Some R&D partners run parallel syntheses with unsubstituted phenoxyacetonitrile, and the difference in substrate behavior is immediately evident: selectivity in certain palladium-catalyzed transformations climbs, and solubility parameters open doors in formulation studies.

    A few years ago, one of our larger crop science clients reported that their lead fungicide analogs demanded the 3-position trifluoromethyl variant due to its robust oxidative resistance. The alternative, a 4-position isomer, failed on photostability in the field after just a week under simulated sunlight. The chemistry behind these differences traces back to electron density distribution on the aromatic ring—data that’s repeated in our own lab notebooks. We don’t just fill orders; we track where our product lands because feedback loops inform process tweaks and, ultimately, outcome reliability.

    Manufacturing Workflow: Lessons from the Floor

    Our team has spent entire shifts troubleshooting process fluctuations. Synthesis involves the O-alkylation of phenols followed by a CN introduction that easily veers off course with careless moisture control. In our early attempts, scale-up past five kilograms introduced hot spots in jacketed vessels. We solved this by adjusting stir rates and isolating temperature zones with computer monitoring—trial and error reinforced by meticulous data gathering.

    Chemical manufacturing is rarely a perfect world. Small particles can dust into a batch and impact crystallinity. During a run last summer, traces of iron from a reaction impeller contaminated our product, leading to coloration we could see at a glance. Rapid response required segmenting the product stream, conducting point-of-origin tests for metal ion ingress, and ultimately replacing the failing equipment. Downtime costs more than labor; it impacts reputation and customer trust.

    Over time, we stabilized the entire route. Every process update gets a pilot study, spotlighting possible scale-up disasters before they hit the main plant. We analyze solid-state properties using XRD, looking for changes in lattice spacing that could impact downstream reactivity. Stability testing across different storage vessels revealed a surprising lesson—polycarbonate containers, while chemically inert, caused slow migration of plasticizers. We transitioned to dedicated glass and high-density polyethylene. These lessons accumulate, forming living standard operating procedures, not just paperwork for an audit but a true playbook for everyday work.

    Competing with Alternatives—Why Details Matter

    We hear from customers who’ve sourced similar molecules from traders or low-cost syntheses from regions where purity control takes a back seat to volume shipping. They bring us technical bulletins showing 3- and 4-position trifluoromethyl isomers with almost identical purity by thin-layer chromatography—until a synthetic campaign yields a deactivated catalyst, or a pilot test in a protein binding study falters due to microcontamination.

    Some look for cost advantage, picking up off-spec batches. These batches frequently contain unreacted starting materials or, worse, side products with similar boiling points. An experienced eye catches subtle color hints, but NMR spectra tell the deeper story: trace ortho-substitution, benzylic impurities, or minor halide byproducts can halt critical late-stage drug modifications or demand additional purification steps. We routinely audit suppliers of our own input chemicals. In the rare event we switch vendors, incoming materials must pass our internal QC, not just the generic “meets specification” standards.

    There’s also the recurring problem of product form. Some producers deliver only oily or amorphous material which complicates automated handling and reproducibility in automated synthesis platforms. Our standard process yields crystalline 3-(Trifluoromethyl)Phenoxyacetonitrile, controlled for particle size and bulk density, so researchers get a free-flowing solid that won’t gum up their equipment. The industry never stands still. As robotic synthesis scales, consistency becomes non-negotiable.

    Real-World Applications: Feedback from the Lab Bench

    Chemists working in pharmaceutical development describe direct benefits. They need intermediates with a fluorine signature—trifluoromethyl isn’t just for show. In practice, this group transforms lipophilicity, bioavailability, and selectivity. One client working on central nervous system actives reported improved blood-brain barrier penetration with our material versus a similar structure lacking the CF3 group. Preclinical teams document fewer off-target effects, reflecting the disciplined design built into the molecular framework. The change manifests in animal model outcomes: compounds derived from 3-(Trifluoromethyl)Phenoxyacetonitrile achieve longer systemic half-lives and improved target engagement.

    Research teams engaged in agrochemicals demand more than theoretical improvements. Field teams want shelf life extension and season-long persistence. The addition of trifluoromethyl not only boosts product life but differentiates the molecule from legacy chemistries that degrade quickly in sunlight or wet conditions. Our feedback loop includes data on application rates and environmental persistence—insights vital for registration and compliance, shaping the molecule’s future demand.

    Material scientists also make use of this intermediate, designing polymers and specialty coatings where durability is critical. The product unlocks fluorinated polymer chains that resist UV damage and oxidation. We’ve heard from labs evaluating alternate sources that impurities—often invisible to the naked eye—cut down on overall yield and degrade product stability. High-purity shipments from our plant power reliable research outcomes, and that reputation spreads organically in technical circles.

    Precision, Compliance, and Full-Scale Traceability

    Our perspective as a manufacturer shifts the lens from checklists to system-wide accountability. We keep comprehensive batch records, monitoring every parameter from starting material lot number to final shipment packaging. Our analytical staff reviews every certificate of analysis, confirming results before material leaves the production area. For audit trails, we deploy digital tags on all drums for real-time traceability. Regulatory filings, particularly for pharma-grade orders, require complete transparency. We maintain chain of custody documentation and provide impurity profiles on demand—requests driven by the ever-evolving global compliance landscape.

    As regulatory scrutiny tightens, we align our internal practices with industry benchmarks for both process safety and environmental stewardship. Our team logs every process deviation and incorporates lessons into revised work instructions. Safety is never an afterthought. We run regular reviews on exposure limits and update worker PPE protocols as necessary, integrating local, regional, and international health guidelines into daily routines. Our partners in the life sciences sector especially value this commitment—risk is managed not just for the end-user but upstream, where overlooked exposure can threaten project progress or clinical pathways.

    The Human Element: Stewardship and Responsibility

    Manufacturing complex molecules brings more than technical knowledge. Responsibility starts on the plant floor, where senior operators pass down practical tips to new employees. Respect for minor details—everything from how to load solid reagents for mixing, to quick visual ID of off-spec material—prevents lost time and costly errors. Teamwork determines success. We never ignore frontline feedback, as an operator’s observation often triggers process improvements that a remote technical audit might miss.

    The experienced worker who hears a change in agitation noise, or spots a subtle shift in crystallization color, saves a production run. This insight, honed over decades, is irreplaceable. Our plant relies on that human touch, supported by systematic recording, regular training, and a direct feedback conduit between production, QC, and technical management.

    Open reporting has solved more problems than any formal review ever could. Routine safety meetings surface hidden risks—like subtle acetone vapor leaks from seals hardened by long-term exposure to fluorinated solvents. We always question assumptions, re-test failed batches, and look for root causes rather than blame.

    Driven by Customer Collaboration and Continuous Improvement

    Engagement with users shapes our direction. Researchers tell us what works and what falls short—sometimes with detailed experimental results, sometimes after months of silence and then a burst of urgent feedback. We welcome the dialogue, responding quickly with technical reviews, batch samples, and formulation data as requested. Our engineering staff regularly revisits process maps to address emerging requirements from these discussions.

    Continuous improvement is more than a process slogan. Every failure or bottleneck becomes an opportunity for upgrade—often leading to permanent changes in reaction steps or purification. Recent investments in high-throughput analytics have shortened response times for batch releases and sample shipments. We recognize that in most chemistry-driven industries, competition never pauses. Delivering reliable 3-(Trifluoromethyl)Phenoxyacetonitrile at scale depends not just on capital investment but on an active corporate memory, shaped by collaboration with the people who actually use these molecules day after day.

    The Role of Supply Chain Relationships and Long-Term Value

    Sourcing sensitive raw materials has grown more complex, with shifting trade restrictions and transportation risk. We build direct links to upstream producers, not just trading entities, focusing on transparency in both cost and logistics. Every batch we make reflects coordinated planning, not snap decisions. Disruptions anywhere in the chain ripple downstream, impacting bench chemistry and commercial-scale trials alike.

    Customers know they can rely on a steady supply and consistent product. We avoid last-minute substitutions, and communicate early if an unavoidable delay arises. Over time, this cultivates durable, trust-based partnerships, replacing the uncertainty and rework that often comes with spot-market acquisitions. In our view, real value takes shape through repeatable results, supported by open conversation and process reliability—attributes only a true manufacturer can deliver at scale.

    Environmental Practices and Process Responsibility

    Manufacturing fluorinated compounds calls for a higher standard of environmental care. Trifluoromethyl groups resist breakdown, making waste handling a real priority. We built adaptive containment systems for liquid and solid side streams, recycling where possible and working with specialized partners for destruction of persistent organic wastes. Scrutiny never lets up; internal audits catch slip-ups faster than outside inspectors.

    We replace or update older equipment as standards shift, aiming for lower solvent usage, cleaner emissions, and safer conditions for everyone in the facility. As regulatory goals evolve, so does our mindset—you win trust in the market by meeting tomorrow’s standards today, not racing for bare compliance. Waste, once treated as an unavoidable nuisance, now drives investment in reuse, cleanup, and innovation. It’s a permanent part of our long-term planning.

    Looking Forward: Sustaining Quality, Pushing for Innovation

    Every kilogram of 3-(Trifluoromethyl)Phenoxyacetonitrile we ship represents not just inventory but ideas, effort, and relentless pursuit of improvement. New synthesis routes now under evaluation target both higher yield and better environmental footprints. Automation and digital twins will play a role—but always paired with hands-on oversight from professionals who understand the molecule in both theory and practice.

    Customers challenge us with requests for alternate particle sizes, tailored solubility, or modified impurity profiles. We meet these needs through direct conversation and real-time feedback—not canned solutions. The market keeps pushing boundaries, and our technical teams thrive on these challenges.

    A plant operated by experienced chemists and engineers fosters progress that outpaces what’s possible from a trading or distribution firm. This difference doesn’t show up on a spec sheet or a certificate of analysis; it appears in steady project delivery, field-tested trust, and the willingness to stand behind every batch—long after the paperwork has cleared. In shaping the future of fluorinated intermediates, our journey with 3-(Trifluoromethyl)Phenoxyacetonitrile continues, built on deep-rooted experience, practical insight, and a commitment to every partner’s success.