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3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate

    • Product Name 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate
    • Alias m-TFIT
    • Einecs 247-422-2
    • 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

    655626

    Productname 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate
    Casnumber 27665-46-3
    Molecularformula C9H3F6NS
    Molecularweight 273.18
    Appearance Colorless to pale yellow liquid
    Boilingpoint 82°C at 12 mmHg
    Density 1.522 g/cm3
    Solubility Slightly soluble in water; soluble in organic solvents
    Refractiveindex 1.486
    Purity Typically ≥98%
    Storageconditions Store at 2-8°C, tightly sealed
    Smiles C1=C(C=C(C=C1C(F)(F)F)N=C=S)C(F)(F)F
    Synonyms 3,5-bis(trifluoromethyl)phenyl isothiocyanate
    Ecnumber 248-618-9

    As an accredited 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate 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, labeled with hazard symbols and chemical details for 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate.
    Shipping 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate is shipped in tightly sealed containers under cool, dry conditions to prevent moisture and contamination. It is classified as a hazardous material, requiring appropriate labeling and documentation. Handle with care; shipping complies with local, national, and international regulations for chemicals. Protective packaging ensures safety during transport.
    Storage Store 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate in a tightly sealed container, kept in a cool, dry, and well-ventilated area away from direct sunlight. Keep away from sources of moisture, heat, ignition, and incompatible substances such as strong acids and bases. Use secondary containment to avoid spills, and ensure proper labeling. Handle under fume hood with appropriate personal protective equipment.
    Application of 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate

    Applications of 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate in Industrial Manufacturing

    3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate is widely implemented as a specialized building block in several high-value sectors. As an original manufacturer, we supply this compound to stringent industrial standards, supporting advanced synthesis and targeted functionalization within established production lines.

    1. Pharmaceutical Intermediate Synthesis

    Pharmaceutical manufacturers use this isothiocyanate in the synthesis of fluorinated heterocyclic scaffolds and active pharmaceutical ingredient (API) intermediates. The material reacts with amines and thiols to introduce aryl isothiocyanate groups, enabling further cyclization or derivatization steps. Manufacturers rely on controlled reaction conditions to ensure purity and compliance for downstream regulatory submissions of APIs.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU EudraLex Volume 4 GMP guidelines
    • USP Chapter <1121> Isothiocyanates
    • Ph. Eur. Monographs for intermediates (where applicable)

    Typical usage ratio

    • Applied at 1.05–1.20 molar equivalents relative to nucleophilic coupling reagents; adjusted based on reaction yield and by-product formation

    Downstream process integration

    • Introduced at the initial coupling stage of API intermediate formation, followed by purification via crystallization or chromatography

    Final product types

    • Selective kinase inhibitors (preclinical and clinical pipeline)
    • Fluorinated heterocyclic anti-infective candidates
    • Nonsteroidal anti-inflammatory intermediates
    • Pesticide-related pharma intermediates (where dual-use permitted)

    2. Agrochemical Active Ingredient Synthesis

    Agrochemical producers utilize this isothiocyanate as a fluorinated synthon for the production of herbicide and pesticide active cores. By forming aryl-thiourea or carbamothioyl derivatives, production processes enhance environmental stability and bioactivity of final products. The compound’s specific reactivity ensures integration with protocols for regulated crop protection chemicals.

    Industry compliance standards

    • FAO/WHO Technical Guidelines on Pesticide Specifications
    • OECD Principles of Good Laboratory Practice (GLP)
    • REACH Annex VII–X for chemical safety assessment in the EU
    • US EPA 40 CFR Part 158 data requirements for pesticides

    Typical usage ratio

    • 0.9–1.15 molar equivalents relative to core building block for thiourea or urea formation; altered according to scale-up loss and desired product purity

    Downstream process integration

    • Employed at the nucleophilic addition or cyclocondensation stage, typically in alkaline solvent media, before formulation into technical concentrate

    Final product types

    • Trifluoromethylated herbicides (e.g., sulfonylureas or thiadiazoles)
    • Nematicides and miticides with fluorinated aromatic rings
    • Seed treatment actives
    • Pre-emergence weed control agents

    3. Specialty Polymer Modifier

    In advanced materials manufacturing, this isothiocyanate functions as a reactive aromatic monomer in the modification of fluorinated polyimides and copolymers. Its incorporation improves chemical resistance, thermal stability, and dielectric properties for polymers used in electronics and photolithography. Formulators manage additions at precise stoichiometries to tailor end-use specifications for specialty films and circuit substrates.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for Polymer Manufacturing
    • IPC-4101B for base materials in printed boards
    • RoHS Directive (2011/65/EU) for electronics polymer components
    • UL 94 for safety of flammability in plastics

    Typical usage ratio

    • Added at 0.5–3% by weight to polyimide formulation batch; actual ratio determined by targeted glass transition temperature and dielectric constant

    Downstream process integration

    • Blended during polyamic acid prepolymerization before film casting or spray-coating; subsequently cured during thermal imidization

    Final product types

    • Flexible printed circuit board (FPCB) substrates
    • Photo-definable dielectric films
    • Specialty laminates for microelectronics
    • Optical window coatings with inert fluorinated surfaces

    4. Advanced Dye and Pigment Intermediate

    Producers of performance dyes use our isothiocyanate to build high-purity fluorinated thioindigo or benzothiazole dyes. The reactivity of the isothiocyanate group allows efficient coupling with aromatic amines for colorants that resist fading and chemical attack. Downstream operations implement this intermediate in continuous dye synthesis lines under controlled mixing temperatures.

    Industry compliance standards

    • REACH Annex XVII: Limitations on hazardous substances
    • ZDHC Manufacturing Restricted Substances List for textiles
    • GOTS 6.0 for organic textile processing chemicals
    • ISO 105 Testing for color fastness in finished dyestuffs

    Typical usage ratio

    • 1:1 molar ratio with amine or diamine reactants; adjust for excess reagent depending on conversion and impurity content

    Downstream process integration

    • Batch- or flow-reactor addition during key condensation or cyclization stage of pigment production, followed by solvent stripping and crystallization

    Final product types

    • High-performance textile dyes for synthetic fibers
    • Solvent-stable printing inks
    • Plastisol colorants for polymers
    • Industrial coatings with superior fade resistance

    5. Liquid Crystal Material Synthesis

    Manufacturers of advanced display technology employ this compound in the preparation of liquid crystal intermediates, particularly for formulating highly fluorinated aromatic units. Its use helps design liquid crystal molecules with precise dielectric anisotropy and viscosity control, which are essential for high-resolution and fast-switching LCD modules.

    Industry compliance standards

    • ISO 8466 for chemical analysis of electronic materials
    • IEC 61249 for base materials in electronic boards
    • Rohs and REACH for restricted substance regulations in electronics
    • JIS C5016 for liquid crystal quality control

    Typical usage ratio

    • Used at 1.0–1.2 molar equivalents in aryl isothiocyanate condensation reactions for each cycloaliphatic core; actual ratio tuned for phase behavior

    Downstream process integration

    • Incorporated at the molecular design stage during stepwise organic synthesis; final mixture purified by column chromatography before blending into LC mixtures

    Final product types

    • Twisted nematic (TN) and in-plane switching (IPS) liquid crystal mixtures
    • Specialty LC compounds for high-brightness displays
    • Temperature-stable display blends
    • Low-voltage LC display units
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    Certification & Compliance
    More Introduction

    Introducing 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate: A Closer Look from the Manufacturer’s Perspective

    Direct from the Plant: Our Purpose, Our Experience

    In the specialty chemicals industry, experience on the shop floor always tells a deeper story than a simple list of product attributes. Producing compounds for pharmaceutical and material science clients means knowing exactly what matters to their research and manufacturing lines. Over years, plant operators, chemists, and engineers come together to take raw materials through each stage of reaction, distillation, and purification, then watch as quality tests confirm if our batches deliver what the synthetic chemists and R&D directors expect. One chemical that has found its way onto more lab orders in the past decade—owing to its versatility and distinct properties—is 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate.

    Why 3,5-Bis(Trifluoromethyl)Phenyl Isothiocyanate Demands Expertise

    Handling fluorinated aromatic intermediates lets us see how minute structural tweaks dramatically impact performance. Some years ago, customers working in the field of agrochemical research began requesting isothiocyanate building blocks with higher electron withdrawing effects for increased reactivity in their syntheses. We realized that the 3,5-bis(trifluoromethyl)phenyl group, attached to an isothiocyanate moiety, delivers that unique combination of reactivity and stability. Its structure, model name often quoted as C9H3F6NS, gives chemists a robust backbone for coupling reactions, especially in the assembly of complex molecules where both the electronic demands and the steric requirements matter.

    Unlike some substituted aryl isothiocyanates, which can introduce noise into reactions or break down under standard workup conditions, our 3,5-bis(trifluoromethyl)phenyl isothiocyanate handles well in both small- and large-scale synthetic batches. The two trifluoromethyl groups, attached directly to the aromatic ring, give the molecule significant resistance to hydrolysis. That translates to lower side product formation, saving research teams tangible time during purification steps. We have witnessed customers order repeat batches precisely because their HPLC readouts stay clean and the yields remain high—a benefit that single-trifluoromethyl or non-fluorinated analogs cannot match.

    Where This Compound Finds Its Place

    Most of the orders we see for this isothiocyanate come from three core segments: pharmaceutical development, specialty polymer manufacturing, and crop protection research. In drug synthesis, the need exists for molecular fragments that can tune bioavailability and metabolic stability. Back in our labs, we first saw our compound going into synthesis pathways for urea, thiourea, and dithiocarbamate derivatization, which are key in antiviral candidates. Our technical liaisons often discuss with clients why the electron-withdrawing nature of the trifluoromethyl groups slows down unwanted hydrolysis or oxidation, delivering shelf-stable intermediates that can stand up to rigorous reaction cycles.

    On the polymer front, this isothiocyanate reacts cleanly with diamines and polyols, providing functional materials with enhanced toughness and environmental resistance. Every time we run a pilot batch for a materials science customer, the feedback repeats itself—higher fluorine content brings near superhydrophobic surfaces, along with unexpected solvent resistance. These are not theoretical benefits; our clients return because actual field testing validates the enhanced durability over non-fluorinated analogs.

    Distinguishing This Compound from the Rest

    As chemical manufacturers, we regularly see inquiries about the difference between 3,5-bis(trifluoromethyl)phenyl isothiocyanate and simpler phenyl isothiocyanate variants. From production experience, we can confirm that purification steps differ. The trifluoromethyl groups, beyond making the compound more stable, modify its solubility in both organic solvents and reaction mixtures. Other isothiocyanates can co-elute or break down during preparative chromatography, often forcing our customers into tedious clean-up cycles. With our fluorinated version, the difference plays out on the prep bench—crisper crystallization, better separation, and a more predictable endpoint on the drying line. Analytical chemists favor it for these practical reasons, especially when project timelines matter.

    Another hidden strength comes from batch consistency. After hundreds of syntheses, we know the tweaks that count: reflux times, inert atmospheres, and solvent grades. We observe that this specific aromatic isothiocyanate consistently delivers robust spectral purity. The distinctive aromatic ring signals and the signature of the isothiocyanate moiety are easily distinguished by NMR and FTIR, reducing the time needed for method development and validation. Researchers who have switched from more variable, less fluorinated versions often remark that their analytics run smoother, and documentation gets simpler—a small but critical edge, especially in regulated industries.

    Why Our Focus Remains on Robust, Reliable Manufacturing

    Our process engineers regularly walk the production floor not just to meet today’s targets, but to solve tomorrow’s bottlenecks. The handling of organofluorine intermediates requires attention to both safety and purity. Over the years, we have invested in corrosion-resistant reactors, inert gas protection, and advanced fume extraction. These steps, while costly, ensure that every batch of 3,5-bis(trifluoromethyl)phenyl isothiocyanate shipped out meets both our internal specifications and those demanded by our most stringent clients.

    Chemists on our team verify that the melting point, clarity, and reactivity profiles match up to client expectations. Through collaborative feedback, we have trimmed the process to cut down on impurities that used to plague early runs of the product. Our reactors undergo pressure and leak checks before each run, removing a weak link that other suppliers sometimes ignore. The result is a compound that chemists trust with late-stage syntheses, where contamination or lot-to-lot variation could derail an entire campaign.

    Born from Requests, Refined by Practice

    Five years ago, requests for this compound lagged behind other, plainer isothiocyanates. Today, more clients—both academic and commercial—specify this fluorinated variant, driven by results on the bench rather than catalog promises. Our product managers field more technical calls about its role in protein labeling, photostable dye synthesis, and ligand attachment schemes. As a manufacturer, we know that chemical innovations move forward only when new building blocks deliver more than incremental gains.

    3,5-Bis(trifluoromethyl)phenyl isothiocyanate has opened routes that standard isothiocyanates can’t match. Its strong electron-withdrawing groups make it a unique tool in the medicinal chemist’s kit; its clean behavior under process conditions eases the scale-up for pilot and commercial batches. We still see seasoned researchers double-checking the reactivity window, but years of run data and customer testimonials tell a consistent story—very few substitutions offer such cleanly differentiated performance.

    Specifications Stem from Real-World Demands

    As a manufacturing team, we have always put emphasis on transparency and traceability. Our published specifications for 3,5-bis(trifluoromethyl)phenyl isothiocyanate stem directly from lab and plant experience. Purity benchmarks, typically above 98% as established by HPLC, reflect both raw feedstock quality and careful streamlining of the workup and purification steps. Moisture levels stay tightly controlled, with Karl Fischer tests regularly run to assure high reactivity for sensitive couplings.

    Particle size, while less critical in this compound than in others, remains consistent due to careful drying and grinding protocols. The white to off-white crystalline powder we ship reflects both high fluorine loading—visible even to the naked eye as a slight frosting on the glassware—and stability under typical storage conditions. Customers working in controlled environments often note the lack of clumping, even after several months, thanks to the product’s dryness and resistance to atmospheric moisture.

    Safe Handling: Lessons from the Bench

    Veterans in chemical processing know that some of the nastiest surprises come from neglecting the details on storage and transfer. This isothiocyanate, with its high fluorine content, exhibits remarkably good stability, but exothermic tendencies can assert themselves under careless heating. We advise users, based on our own plant protocols, to keep the compound tightly sealed and avoid unnecessary exposure to strong bases or acids. These simple precautions echo what we do after every batch—keep all transfer lines purged, minimize time outside of inert atmosphere, and trust the instincts developed after watching a runaway reaction once or twice.

    Packaging design, a focus for us after early client feedback, also reflects practical experience: sealed in fluoropolymer-lined containers, shipped quickly under conditions that avoid both moisture uptake and thermal cycling. Researchers and production chemists who have dealt with sticky, contaminated analogs from less careful suppliers often remark on how our product retains flow and purity, even for sensitive coupling reactions or pilot scale-up.

    Perspectives from the Synthesis Line

    Being a manufacturer, not a reseller, brings unique challenges and opportunities. We sit with the reactor operators, monitor trends across the supply chain, and see firsthand how raw material volatility, especially for fluorine-containing reagents, can disrupt production. Our sourcing strategy balances reliability with ongoing investment in our own precursor synthesis lines, shielding our clients from sudden shortages.

    We field technical questions daily—from pharmaceutical chemists looking to streamline their lead optimization, to material scientists searching for higher fluorine content in polymers. The feedback loop is close and pragmatic. Project teams frequently request batch-specific CoAs, ask about reactivity comparisons with mono-trifluoromethyl alternatives, or want to know the limits on scale-up for multi-kilogram supply. We keep the communication lines open because last-mile confidence only comes from trust built over time—and the knowledge that if an unexpected impurity ever shows up, we're accountable for fixing it, fast.

    Looking Ahead: Commitment to Reliable Supply and Innovation

    In specialty chemicals, the difference often lies in the details. Producing 3,5-bis(trifluoromethyl)phenyl isothiocyanate as a consistent, high-purity intermediate means understanding more than reaction equations. Each run brings feedback from the QA team, real-world data from our clients, and new ideas for process improvement. Our role isn't just facilitating transactions—it is about listening, refining, and supporting innovation across chemistries that few outside the lab might ever see.

    Whether destined for pharmaceutical probes, advanced coatings, or the next generation of agrochemicals, our commitment to process excellence travels with every shipment. Plant-side lessons, customer feedback, and hands-on troubleshooting come together in each batch. For us, this compound stands as an example of how targeted chemistry, careful process control, and attention to the actual needs of users create more than a product—they build durable partnerships that fuel further discoveries.

    Summary

    From our perspective in manufacturing, the value of 3,5-bis(trifluoromethyl)phenyl isothiocyanate doesn’t stop at its molecular formula. Time and again, our clients tell us that their breakthrough results depend on reliable access to intermediates that behave as promised. Our experience with this compound tells a clear story: robust stability, distinct reactivity, and reliable shipment protocols set it apart from the crowd of similar-sounding products. The stories that start with this isothiocyanate—breakthrough syntheses, scalable pilot lines, new material functionalities—are a testament to what happens when manufacturer and chemist work closely, from bench to plant to production.