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2-(Trifluoromethyl)Phenyl Isothiocyanate

    • Product Name 2-(Trifluoromethyl)Phenyl Isothiocyanate
    • Alias 2-(Trifluoromethyl)phenyl isothiocyanate
    • Einecs 251-834-3
    • 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

    904449

    Chemical Name 2-(Trifluoromethyl)Phenyl Isothiocyanate
    Cas Number 17373-36-1
    Molecular Formula C8H4F3NS
    Molecular Weight 203.18
    Appearance Colorless to yellowish liquid
    Boiling Point 76-78 °C at 2 mmHg
    Density 1.339 g/cm³ at 25 °C
    Refractive Index 1.588
    Purity Typically ≥98%
    Solubility Insoluble in water; soluble in organic solvents
    Storage Conditions Store at 2-8 °C, tightly closed

    As an accredited 2-(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, sealed cap, 5 grams, hazard symbols, white label displaying "2-(Trifluoromethyl)Phenyl Isothiocyanate", CAS, and supplier details.
    Shipping 2-(Trifluoromethyl)Phenyl Isothiocyanate is shipped in tightly sealed containers under dry, cool conditions to prevent moisture and contamination. It is classified as hazardous; thus, shipping adheres to international regulations (IATA, IMDG). Proper labeling and documentation are required. Personal protective equipment is recommended when handling packages upon receipt.
    Storage 2-(Trifluoromethyl)Phenyl Isothiocyanate should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and incompatible substances such as strong acids and bases. Store in a tightly sealed container, preferably under inert atmosphere (like nitrogen or argon) to prevent moisture ingress. Properly label the storage area and ensure appropriate safety procedures and personal protective equipment are used when handling.
    Application of 2-(Trifluoromethyl)Phenyl Isothiocyanate

    Applications of 2-(Trifluoromethyl)Phenyl Isothiocyanate in Industrial Manufacturing

    2-(Trifluoromethyl)Phenyl Isothiocyanate is a highly specialized intermediate valued for its unique trifluoromethyl and isothiocyanate functionalities, supplying essential building blocks for advanced synthesis in pharmaceutical, agrochemical, dye, and functional materials manufacturing. Below we present extensive application scenarios from our direct experience as an upstream chemical producer, summarizing industrial integration, compliance requirements, formulation approaches, and downstream products for each major sector.

    1. Pharmaceutical Intermediates Synthesis

    This material serves as a key intermediate for the synthesis of fluorinated pharmaceutical compounds, particularly in producing heterocyclic scaffolds used in kinase inhibitors and CNS-active agents. Its electron-withdrawing trifluoromethyl group enhances target molecule stability and metabolic properties, making it favored for selective acylation and cyclization steps in active pharmaceutical ingredient (API) routes.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for APIs
    • 21 CFR Parts 210 & 211 (US FDA cGMP)
    • European Pharmacopoeia (Ph. Eur.) guidelines for starting materials
    • Chinese Pharmacopoeia for registered intermediates

    Typical usage ratio

    • 0.3–1.0 molar equivalents, calculated according to target heterocycle formation; precise dosage adjusted based on substrate reactivity and route optimization studies

    Downstream process integration

    • Charged into the vessel after initial substrate activation or halogen exchange, typically under inert atmosphere using anhydrous solvents to avoid hydrolysis
    • Reacted with amines, hydrazines, or enamines at controlled temperature, followed by purification for further cyclization or functionalization steps

    Final product types

    • Kinase inhibitor APIs (e.g., CF3-substituted imidazoles, triazoles)
    • CNS-active agents with fluorinated aromatic moieties
    • Fluorinated sulfonamide pharmaceuticals

    2. Agrochemical Active Synthesis

    2-(Trifluoromethyl)Phenyl Isothiocyanate is used by agrochemical manufacturers to construct CF3-bearing heterocyclic cores in new generation herbicides, fungicides, and insecticides. Its thio-isocyanate group supports in-situ cyclization for synthesizing triazoles, thiadiazoles, and benzothiazole derivatives that exhibit advanced crop protection performance.

    Industry compliance standards

    • FAO/WHO specifications for technical-grade raw materials (JMPR, CCPR)
    • REACH Regulation (EC) No 1907/2006—traceability and substance registration
    • ISO 9001:2015 for agrochemical production quality management

    Typical usage ratio

    • Typically 0.8–1.1 equivalents per equivalent of amine or hydrazine substrate; reaction ratios modified according to target molecule yield and pilot scale-up results

    Downstream process integration

    • Added to stirred reactor during final nitrogen-insertion stages
    • Introduced post-chlorination or as an acylation agent for direct ring closure
    • Purified intermediate often isolated by aqueous phase extraction or vacuum distillation

    Final product types

    • Fluorinated triazole and benzothiazole herbicides
    • CF3-containing insecticides and seed treatment agents
    • New-generation fungicide active molecules

    3. Specialty Dye Intermediate

    In the dye industry, manufacturers employ the material in the functionalization of aromatic scaffolds for synthesizing performance dyestuffs, especially for high-value textile and inkjet dyeing. The electron-withdrawing CF3 group delivers outstanding brightness, color fastness, and chemical resistance to the final dye structures, supporting the creation of specialty yellow and red dyes used in fiber coloration and digital printing ink sets.

    Industry compliance standards

    • Oeko-Tex Standard 100 for restricted substances in textiles
    • EU REACH SVHC compliance for azo and arylamines
    • GOTS (Global Organic Textile Standard) for approved dye components

    Typical usage ratio

    • Commonly 0.5–0.9 mole equivalents relative to primary amine component depending on targeted chromophore structure and shade intensity

    Downstream process integration

    • Introduced in the key coupling reaction for aryl isothiocyanate insertion onto diazonium salts or activated aromatics
    • Pre-purified to remove trace water, then batch-reacted under controlled pH to maximize chromophore yield

    Final product types

    • CF3-based disperse and acid dyes for polyester and nylon
    • Specialty inkjet dyes for digital textile printing
    • Lightfast pigments for technical coating applications

    4. High-Performance Polymer Modifier

    Polymer manufacturers use the isothiocyanate functionality to introduce cross-linkable CF3-aromatic units into engineering plastics and specialty elastomers, enhancing solvent resistance, thermal stability, and mechanical performance. This approach is favored in high-value sectors requiring unique surface properties and resistance to aggressive chemical environments.

    Industry compliance standards

    • ISO 9001-certified quality management for advanced polymer production
    • UL 94 flammability standards for plastics
    • RoHS Directive 2011/65/EU for restricted substances in electronics polymers

    Typical usage ratio

    • Generally 0.1–0.5 wt% in polycondensation or melt-blending formulations, ratios optimized for target cross-link density and final part performance

    Downstream process integration

    • Added to polymer reaction mass during oligomer formation or melt-phase reactive extrusion
    • Acts as an in-situ cross-linker or surface-functionalization agent, upstream of final shaping or curing

    Final product types

    • High-temperature-resistant polyimide or polyamide resins
    • Surface-modified elastomers for automotive, electronics, and specialty hose applications
    • Specialty films and molded components with fluorinated functionalities

    5. Diagnostic Reagent Intermediate

    Diagnostic reagent producers apply 2-(Trifluoromethyl)Phenyl Isothiocyanate to introduce CF3-aromatic markers for the synthesis of labeling reagents used in LC-MS and immunoassay development. The isothiocyanate reacts selectively with amino groups under mild conditions, supporting conjugation to peptides and proteins for molecular probes with enhanced signal-to-noise ratios.

    Industry compliance standards

    • ISO 13485:2016 for medical diagnostic reagent production
    • 21 CFR Part 820 (Quality System Regulation for medical devices)
    • ISO 17511 for in vitro diagnostic calibration materials

    Typical usage ratio

    • Typically 1.0–1.5 equivalents based on total free amine content in the target biomolecule, calculated considering the molecular weight and degree of derivatization required

    Downstream process integration

    • Added directly to buffered biomolecule solution after deprotection or reduction steps to ensure maximal labeling efficiency
    • Followed by high-performance liquid chromatography (HPLC) purification to isolate labeled probe

    Final product types

    • Fluorinated peptide or protein labeling reagents for MS or immunoassay signal enhancement
    • Derivatized small-molecule standards for chemical biology and toxicology labs
    • Diagnostic kits for quantitative clinical chemistry analysis
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    Certification & Compliance
    More Introduction

    2-(Trifluoromethyl)Phenyl Isothiocyanate: A Manufacturer’s Perspective

    Shaping Chemical Innovation with Hands-on Manufacturing

    As a direct manufacturer of 2-(Trifluoromethyl)Phenyl Isothiocyanate, we see this compound make a real impact, day in and day out, in research laboratories and production plants. Our close work with users—from process chemists scaling up small batches to large pharmaceutical innovators—gives us a detailed look into how this molecule steps beyond being just another catalog item. This is not only about supply; it’s about insight into how subtle changes at the bench or reactor make a difference when quality, consistency, and process integration matter.

    What Makes 2-(Trifluoromethyl)Phenyl Isothiocyanate Stand Out

    Our 2-(Trifluoromethyl)Phenyl Isothiocyanate features a trifluoromethyl group attached to a phenyl isothiocyanate backbone. The CF3 group brings a unique electronic twist, affecting reactivity and selectivity in many synthetic steps. Chemists often look for ways to introduce fluorine atoms into molecules, as this can increase lipophilicity, stability, or bioavailability in pharmaceutical candidates. This compound fits into those needs by placing the trifluoromethyl at the ortho position, which shields the benzene ring and influences subsequent transformations.

    We produce this compound with careful purity control: a typical minimum assay of 98% has proven to support most downstream applications without unexpected byproducts. Our teams regularly run NMR and LC-MS analysis, not for show, but because our clients watch every peak like we do. In our experience, customers using material for heterocycle functionalization, peptide conjugation, or advanced agrochemical research return often with praise for batch-to-batch consistency—a result of steady process control and tough internal standards.

    Production Insights: The View from the Plant Floor

    Synthesizing this isothiocyanate starts with a deep appreciation for the upstream aniline derivative. Handling CF3-phenyl intermediates presents challenges, as these compounds tend to be less reactive than their non-fluorinated siblings. Our technical teams have spent years fine-tuning the conversion steps—optimizing phase transfer, purification, and product isolation. Small changes—reaction temperature, pressure, drying time—make large differences at plant scales. We take pride in running efficient, reproducible processes that reduce impurities without pushing costs through the roof.

    By limiting secondary byproducts such as symmetrical thioureas and naphthalene-type residues, we eliminate headaches that come up in downstream coupling reactions. We often benchmark our isothiocyanate material for residual solvents and halides because traces of DMF, dichloromethane, or related organics come under scrutiny, especially in regulated industries. Batches not only undergo standard chromatographic checks, but our QC lab runs targeted impurity screens based on actual customer feedback.

    Practical Use Cases and Customer Stories

    Our main users come from two worlds: pharmaceutical research and agrochemical development. Medicinal chemists value how the trifluoromethyl group changes biological interactions. The presence of fluorine can boost metabolic stability or shift receptor binding—sometimes giving a compound the edge it needs in a competitive screening. In crop protection, every molecular tweak can mean a major difference in effectiveness, rainfastness, or environmental persistence.

    Recently, a global biopharma team scaled up a new kinase inhibitor program. Their protocols required the formation of certain urea and thiourea motifs, which often struggled with traditional phenyl isothiocyanates. Our 2-(Trifluoromethyl)Phenyl Isothiocyanate unlocked a clean reaction profile, suppressing undesired side products that often stall late-stage process development. This cut a month off their timeline—a direct example of how manufacturing quality can transform outcomes, not just tick regulatory boxes.

    In flavor chemistry, innovators use this product to modify backbone structures, adjusting aromatic and bitter profiles of synthetic ingredients. The isothiocyanate group participates in sturdy linkages that tolerate harsh cooking or processing steps, something common isothiocyanates fail at due to thermal breakdown or off-flavor generation. Our batches have supported projects targeting stable, trace-level flavor agents for commercial beverages.

    Comparing 2-(Trifluoromethyl)Phenyl Isothiocyanate to Other Isothiocyanates

    Not all isothiocyanates behave alike. Commercial phenyl isothiocyanates tend to react faster but lack the unique electronic modulation of a CF3-substituted system. Many researchers find that para- or meta-trifluoromethyl isomers give different selectivity or solubility, making ortho placement especially useful in stepwise syntheses. The electron-withdrawing effect at the ortho position, close to the isothiocyanate moiety, leads to more predictable reactivity in nucleophilic substitution or cyclization reactions.

    From a manufacturing point of view, ortho substitution brings certain purification hurdles. Crystallization and distillation favor less-hindered positions. Our teams developed specialized approaches with controlled solvent swaps and tailored filtration to ensure few residual contaminants and minimal isomeric cross-contamination.

    Typical commercial isothiocyanates often bring unwanted side reactions when used in late-stage modification of complex molecules. By contrast, our 2-(Trifluoromethyl)Phenyl Isothiocyanate resists overalkylation and scores high marks for site-selective modifications. This becomes essential for customers making highly functionalized intermediates, where a single misstep adds weeks of extra work.

    Laboratory-scale synthesis using lower grade or generic starting materials rarely delivers the clean mass spectrum or sharp melting point needed in production. Through tight process integration, we focus on process yields without adding unnecessary reagents or introducing excess water or acid into workups.

    Purity Standards and Testing: What Quality Means on the Ground

    What does “high purity” translate to in practice? Our customers want confidence. Every lot we ship comes with analytical data—fine, but the real trust builds from open dialogues and batch recall records. Over recent years, we’ve noticed that even claimed “99%” products from non-manufacturing vendors can slip below customer expectations when exposed to genuine end-use stress. Often, low-level sulfur impurities or metal residues hamper downstream transformations or analytical workflows.

    For us, establishing baseline QC protocols took patience. We learned from a decade of mistakes. Early on, we noticed stacking NMR peaks corresponding to minor aromatic byproducts, which led to more rigorous column performance checks. As a result, our routine assurance screens stretch beyond simple GC-FID: we dig into trace environmental contaminants and stress-test samples under aggressive heating or exposure scenarios.

    Supply reliability means more than filling orders. Our raw material sourcing team maintains relationships with fluorine and aniline suppliers. This close network underpins every shipment and keeps us alert to shifts in raw material impurity profiles or regulatory updates in the regional chemical marketplace.

    Environmental and Safety Considerations in Manufacturing

    Working hands-on with isothiocyanates raises significant safety questions. These materials can react with skin proteins, producing allergic responses in unprotected handlers. Our production crews work in closed handling systems and use sensor arrays to catch leaks long before they present a risk. Cleaning protocols and air-handling standards get constant review, drawing on both industry best practices and direct incident experience.

    Sulfur-containing waste, a byproduct specific to isothiocyanate manufacture, comes under local discharge regulations. Across our facilities, waste stream separation and incineration have dramatically reduced sulfur emission rates. We invest in solvent recovery technologies not as a greenwashing exercise, but because resource costs directly affect our production schedule and long-term business resilience.

    Customers often ask about regulatory status for importing or handling this compound—whether it falls under key control lists or export monitoring. We keep detailed internal logs of every compliance update and actively share relevant guidance with partners and end-users.

    Shipping, Storage, and Stability: The Logistics Experience

    Packing and transport of 2-(Trifluoromethyl)Phenyl Isothiocyanate require a straight-line, no-excuses approach. We prepare shipments in sealed amber glass or fluoropolymer containers. This keeps out light and moisture, avoiding the slow hydrolysis and discoloration we’ve seen in inadequately packed materials elsewhere. Shipping teams keep a quick turn-around window from batch release to outbound movement, cutting dwell time and preventing unnecessary breakdown.

    For long-term storage, controlled environments at 2–8°C drastically extend stability periods. Dry, inert gas headspace eliminates unwanted side reactions. Bulk customers running kilo-scale operations receive technical support on-site, including troubleshooting for material handling in automated feeders or continuous flow lines.

    Application-Driven Problem Solving: Supporting Clients

    Teams using our product appreciate more than just paperwork. We spend time consulting on protocol tweaks, helping to solve real-life problems: solubility in specialized solvents, filtration of off-white residues, or scale-up yield issues. Recently, one agrochemical company flagged surfactant compatibility issues in microemulsion formulations. By working together on solvent selection and reviewing the pH adjustment strategy, we reduced cloudiness and sharpened GC signals, helping stabilize the entire production run.

    For advanced pharma, contract research organizations have constantly evolving needs. Either for making isotopically labeled analogs, forming specific conjugates, or shifting reaction sequences, our application chemists experiment along with clients. We’ve tested everything from direct peptides coupling, minimized thiourea byproduct formation, and even non-traditional solid-state reactions—all because real innovation happens in partnership, not isolation.

    Continuous Improvement: Lean Manufacturing in Action

    Making pure, reliable 2-(Trifluoromethyl)Phenyl Isothiocyanate isn’t about luck. Every new request or process hiccup feeds back into our lean programs. One recent example: after noticing a jump in residual water content detected by a European customer, plant staff dug into storage tank and line maintenance logs. We implemented a revision in nitrogen purge timing, and subsequent batches dropped to the required moisture level without any yield drop.

    Chemical manufacturing is about listening and adapting. Last year, thanks to our new inline monitoring system, several batches caught minor process drift before final workup. Tweaks in spin speed and solvent ratios led to tighter particle sizing and better downstream filtration. Every improvement, large or small, translates to fewer headaches for clients and a tighter supply chain all around.

    Standing on Decades of Experience

    Unlike resellers or catalog houses, direct manufacturing gives firsthand knowledge of the realities behind every batch. Our staff know the subtle changes that affect odor, color, and handling from real world production runs, not secondhand reports. We do more than readout certificates: we respond to customer feedback and regulatory shifts with real infrastructure investment and routine process checks.

    For us, each drum, bottle, or sample vial represents an open line of communication with the user. By keeping our teams grounded in the day-to-day, not just compliance checklists, we adapt fast and never settle for “good enough.” We have seen how small slip-ups—trace halides, subpar sealing, careless packing—can cause weeks of lost lab time or failed pilot runs for clients. We treat every order as a reflection of our own standards.

    Focus on Trust, Quality, and Problem-Solving

    By staying close to the manufacturing process and listening to the day-to-day needs of users, we make a product that’s reliable, consistent, and ready for real-world challenges. 2-(Trifluoromethyl)Phenyl Isothiocyanate is not just a line item on a spec sheet; it’s a crucial building block for researchers and developers working at the limits of what’s possible in discovery and production chemistry.

    Whether the work involves screening a new drug scaffold, mapping synthetic routes for next-generation crop protectants, or solving a tough analytical puzzle, we are committed to delivering the performance, quality, and support that drive breakthroughs forward. Each kilogram, each drum, is backed by experience built from the ground up: the reality of chemical manufacturing, not the fiction of marketing.