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4-(Trifluoromethylthio)Benzoic Acid

    • Product Name 4-(Trifluoromethylthio)Benzoic Acid
    • Alias 4-(Trifluoromethylthio)benzoic acid
    • Einecs 221-579-5
    • 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

    591045

    Cas Number 2261-07-4
    Molecular Formula C8H5F3O2S
    Molecular Weight 222.18
    Synonyms p-(Trifluoromethylthio)benzoic acid
    Appearance White to off-white solid
    Melting Point 133-135°C
    Solubility In Water Slightly soluble
    Smiles OC(=O)c1ccc(cc1)SC(F)(F)F
    Inchi InChI=1S/C8H5F3O2S/c9-8(10,11)14-7-4-2-1-3-6(7)5(12)13/h1-4H,(H,12,13)
    Purity Typically ≥98%
    Storage Temperature Store at room temperature
    Ec Number 218-879-6

    As an accredited 4-(Trifluoromethylthio)Benzoic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 100g of 4-(Trifluoromethylthio)benzoic acid is supplied in a tightly sealed amber glass bottle with a clear hazard label.
    Shipping 4-(Trifluoromethylthio)benzoic acid is shipped in tightly sealed containers, protected from moisture, heat, and direct sunlight. It is typically packed according to hazardous materials regulations, ensuring proper labeling and documentation. The packaging is designed to prevent leaks and physical damage during transportation to maintain chemical stability and safety.
    Storage 4-(Trifluoromethylthio)benzoic acid should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from direct sunlight and incompatible substances such as strong oxidizers and bases. Protect from moisture and sources of ignition. Ensure proper labeling and avoid prolonged exposure to air to prevent possible degradation. Use appropriate personal protective equipment when handling.
    Application of 4-(Trifluoromethylthio)Benzoic Acid

    Applications of 4-(Trifluoromethylthio)Benzoic Acid in Industrial Manufacturing

    4-(Trifluoromethylthio)benzoic acid is a specialty fluorinated aromatic carboxylic acid widely adopted in advanced chemical manufacturing. Our production facility ensures batch consistency and traceable quality, meeting the standards required in key downstream innovation sectors. Below we detail core application scenarios where this compound delivers performance and compliance value as an intermediate or functional additive.

    1. Pharmaceutical Intermediate for Active Pharmaceutical Ingredient (API) Synthesis

    Pharma manufacturers select this compound for introducing the trifluoromethylthio group into targeted lead molecules. Its functional group modification capacity supports structure-activity optimization and enhances metabolic stability in emerging APIs, especially within cardiovascular and CNS therapy research pipelines. Our product integrates into early-stage as well as commercial-scale synthetic routes according to project-specific GMP requirements.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for APIs
    • USP-NF monograph applicable to final API
    • EDQM CEP-related controls (where relevant)
    • Local regulatory authority requirements (FDA, EMA)

    Typical usage ratio

    • Stoichiometric input as coupling, acylation, or substitution reagent; 0.8–1.2 molar equivalents, adjusted based on route selectivity and impurity control targets

    Downstream process integration

    • “Key starting material” or “building block” introduced during core ring construction, followed by functional group transformation steps such as amide coupling or further fluorination

    Final product types

    • Small-molecule drug substances (oral, injectable)
    • Late-stage intermediates for CNS pharmaceuticals
    • Targeted oncology leads with trifluoromethylthio motifs

    2. Agrochemical Intermediate for Herbicide and Fungicide Synthesis

    This compound functions as a tailored aromatic building block for sulfonylurea, triazole, and novel hybrid herbicide systems. Bulk purchasers use its fluorinated scaffold to impart weathering resistance and extended soil activity for crop protection agents. Feedstock specifications are aligned to stability and impurity limits dictated by agrochemical registration protocols.

    Industry compliance standards

    • EPA 40 CFR Part 158 (Pesticide Registration Data Requirements)
    • OECD GLP (Good Laboratory Practice) for agrochemical R&D
    • FAO/WHO Specifications for agricultural pesticides
    • REACH registration and notification (if marketed in EEA)

    Typical usage ratio

    • 0.5–2.0% w/w of precursor batch, calculated as functional aromatic core unit based on target active ingredient structure; adjusted for stoichiometry in multi-step syntheses

    Downstream process integration

    • Integrated during condensation or cyclization step to introduce CF3S– functionality, followed by derivatization to complete final AI synthesis or to enable formulation as dispersible concentrate

    Final product types

    • Post-emergent herbicides (sulfonylurea class)
    • Systemic fungicides with triazole modifications
    • Precursor blends for seed treatment chemicals

    3. Specialty Polymer Modifier

    Our chemical serves as a niche additive in high-value polymer modification, specifically for fluoropolymer derivatives requiring chemical resistance, low surface energy, or specialized dielectric characteristics. Compounders dose it to introduce unique fluorinated aromatic content, expanding end-use performance in electronics and advanced packaging films. Regulatory and technical documentation support its traceability in polymer matrices.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for specialty chemicals
    • RoHS Directive (2011/65/EU) for electronics polymers
    • FDA 21 CFR 177.1550 (if used for food-contact fluoro-polymers)
    • REACH ANNEX XVII restrictions for substances in articles

    Typical usage ratio

    • 0.1–1.0% by weight in polymer resin blends; dosage selected based on targeted property modification (hydrophobicity, chemical inertness, dielectric value)

    Downstream process integration

    • Charged into polymerization reactor during chain extension, or added during melt compounding as a masterbatch, ensuring dispersion prior to extrusion or molding

    Final product types

    • Fluoropolymer cable insulation
    • Microelectronic wafer coatings
    • Barrier films for high-purity packaging

    4. Liquid Crystal Intermediate for Specialty Electronics

    Manufacturers utilize this fluorinated aromatic acid to synthesize advanced mesogens for display technology and sensor applications. The trifluoromethylthio group enhances molecular alignment behavior and electro-optical response, supporting new generations of high-performance liquid crystal formulations. Integration focuses on structural precision, isotropic phase temperature targeting, and photostability critical in display manufacture.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for display materials
    • IEC 61249-2-21:2003 Restriction of hazardous substances in electronic materials
    • Japan Chemical Industry Association (JCIA) regulatory guidance for electronic chemicals
    • RoHS for display panel components

    Typical usage ratio

    • 0.3–2.0 mol% relative to total mesogen backbone input, adjusted for desired liquid crystal phase behavior and switching voltage performance

    Downstream process integration

    • Subjected to condensation or coupling synthesis alongside other aromatic units to form liquid crystal monomers or oligomers subsequently purified and formulated

    Final product types

    • Twisted nematic (TN) liquid crystal mixtures
    • In-plane switching (IPS) LCD modules
    • Advanced sensor arrays for photonic devices

    5. Fine Chemical Intermediate in Photoinitiator Production

    In specialty fine chemical manufacturing, this compound acts as a controlled aromatic precursor for fluorinated photoinitiator systems. It functions as an integral starting unit in synthesizing benzoin, benzophenone, and thioxanthone photoinitiator derivatives. Applications target precision UV curing in electronics, microelectronics, and industrial ink formulations, with purity and trace impurity documentation tailored for end-use QC protocols.

    Industry compliance standards

    • ISO 14001 Environmental Management (for solvents and emissions handling)
    • REACH compliance for photoinitiator notification
    • EU Regulation (EC) No 1272/2008 (CLP) for classification and labelling
    • Chemical registration under TSCA (for US customers)

    Typical usage ratio

    • 1.0–3.0 mol% of final photoinitiator batch, dependent on target absorption wavelength and UV activity; ratio refinement based on kinetic screening data

    Downstream process integration

    • Introduced during initial aromatic acylation or thioesterification; subsequent steps form the final photoinitiator framework, followed by purification for microelectronic or ink markets

    Final product types

    • UV-curable ink photoinitiators
    • Benzoin ether derivatives for electronics
    • High-sensitivity thioxanthone compounds for 3D printing resins
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    Certification & Compliance
    More Introduction

    4-(Trifluoromethylthio)Benzoic Acid: Insights from the Manufacturer’s Perspective

    Understanding the Value of 4-(Trifluoromethylthio)Benzoic Acid in Fine Chemistry

    Our team has handled a wide spectrum of building blocks and intermediates, and among those, 4-(Trifluoromethylthio)benzoic acid stands out with unique characteristics. Its place in our product line comes from its trifluoromethylthio (SCF3) functionality anchored on an aromatic acid structure—this isn’t run-of-the-mill benzoic acid chemistry. In day-to-day discussions with process chemists and R&D personnel from pharmaceuticals, agrochemicals, and materials development, this molecule keeps coming up. It’s no accident: the SCF3 moiety brings a blend of strong electron-withdrawing properties and valuable lipophilicity, which allows for creative molecular design far beyond standard benzoic acids or their simple halogenated cousins.

    Unlike many benzoic acid derivatives, the trifluoromethylthio group at the para position makes the molecule highly appealing for late-stage diversification in discovery chemistry. As actual producers, we’ve watched project teams reach for it when they want to introduce more than just a fluorine atom. SCF3 brings a bulky but stable pocket, offering metabolic robustness without dramatically affecting the acid’s availability for coupling reactions. Epoxides, carbodiimides, and other activating agents interact with this backbone in recognizable ways, but the difference comes through in the final product stability and target receptor binding.

    The (trifluoromethylthio) group is not an afterthought. We pay close attention to how it changes the acidity and reactivity profile of the parent acid. The pKa differs enough from unsubstituted benzoic acids and even trifluoromethylbenzoic acid isomers that we see altered solubility, partition, and processability. Some intermediates oxidize or hydrolyze more readily, yet the para-SCF3 holds up for the aggressive coupling conditions used in either peptide chemistry or advanced material ligands. Customers who run iterative coupling steps often comment on how this substitution pattern outlasts others under demanding conditions.

    Production Process: Maintaining Consistent Quality in Every Batch

    Raw material sourcing and process reliability remain front of mind every time we scale up production. The path to 4-(Trifluoromethylthio)benzoic acid typically begins with precision in electrophilic thiolation chemistry. Many suppliers offer variants of the key trifluoromethylthiolating agents, but their reactivity and impurity profiles range widely. Over the years, our lab teams have refined purification and drying steps, tracking trace metal contaminants, water content, and residual reagents at every stage.

    We learned that keeping reaction variables tightly controlled—temperature, pressure, and careful quenching—is essential; this is not a situation where you leave a run unattended. Even a fractional increase in moisture results in hydrolysis side products or color bodies. In our experience, the use of high-purity solvents and custom-made SCF3 reagents cuts down on tailing impurities that pop up in downstream analytics.

    On every lot, we run full-spectrum NMR, detailed LC chromatography, and fluorine elemental analysis. Repeatability matters a lot to our customers, so we target minimal variance between charges. Over time, the routine attention to analytical details has led to fewer headaches in customer projects and fewer surprises along the supply chain.

    Specifications that Matter for Practical Synthesis

    Manufacturing to a chemical’s “specification” is more meaningful than a checklist. Standard offerings of 4-(Trifluoromethylthio)benzoic acid show up as colorless to slightly off-white crystalline powder, with assay purities typically above 98.0% by HPLC and NMR. We continue to supply this compound in a range of particle sizes, but the choice always depends on our customer’s downstream needs. Some teams running solid-phase synthesis want fine powders for rapid dissolution, while flow chemistry users appreciate larger, free-flowing grains that can be handled without clumping.

    Melting point variations signal differences in purity. We see narrow melting ranges in batches with the highest quality: that’s a simple, tactile measure everyone in the plant trusts. Residual solvents and water content are more than regulatory checkboxes—the wrong solvent leftover can spoil a downstream step, and a percent or two of extra water can mean solid-state transformations mid-storage. In every order, we include a detailed COA, but our technical service team invites clients to call directly if unexpected results show up. Collaborating over specific analytical questions or concerns keeps projects moving.

    Contrasts with Other Benzoic Acid Derivatives

    This molecule’s unique properties become clear only in comparison with other benzoic acid derivatives. We manufacture a range including methyl, halogen, trifluoromethyl, and simple nitro substitutions, but the trifluoromethylthio group sets itself apart. Where para-fluorobenzoic acid or para-trifluoromethylbenzoic acid provide electron-withdrawing influence, their impact on lipophilicity and metabolic block is much less pronounced.

    SCF3 leans heavily into hydrophobicity. Synthetic chemists exploring SAR in active compounds describe notably better partition into lipid matrices than simple CF3 analogs. On the process side, we’ve noticed higher chemical stability and resistance to acidic or basic hydrolysis. Some pharmaceutical clients report a distinctive influence on biological half-life in drug discovery programs, and that matches what we see in stability screening with both acidic and basic hydrolysis conditions.

    Comparing this product with chlorobenzoic acid, SCF3 takes the lead in both chemical novelty and downstream functionalization. The sulfur linkage offers a different profile for click or cross-coupling reactions, expanding the scope of scaffolds, and developers working in materials science have told us about new performance properties in organofluorine architectures—especially in coatings and specialty elastomers where other groups fall short under mechanical or solvent stress.

    Real-World Applications Guided by Customer Feedback

    Over years of working directly with global R&D teams, the most frequent applications we see for 4-(Trifluoromethylthio)benzoic acid fall into three advanced segments: drug design, crop protection, and specialty material creation. In pharmaceuticals, it enables researchers to introduce a niche lipophilic group for altering pharmacokinetics, without dramatically changing a core structure. Medicinal chemists looking to address bioavailability or metabolic limitations regularly request both this acid and its downstream esters or amides.

    In crop science, discovery teams mention this acid as a precursor for new mode-of-action herbicides and pest control agents. The SCF3 group delivers persistence under outdoor stress—sunlight, moisture, and field conditions that quickly degrade many other actives. With rising regulatory scrutiny in environmental chemistry, that difference means extension of efficacy and a reduction in total loadings across several seasons.

    The specialty chemicals sector has opened new doors for us. Formulators blending coatings, high-performance polymers, and surface modifiers value the acid’s compatibility with advanced fluorinated chains. The ability to anchor a robust, hydrophobic functionality translates into better dirt and water repellency as well as chemical resistance. Clients frequently comment on how the acid’s SCF3 substitution leads to performance upgrades in prototypes—something we have verified in our own lab coatings trials.

    Challenges and Solutions in Manufacturing and Supply

    Handling fluorinated building blocks always calls for focus on environmental and worker safety—especially with sulfur and fluorine in the same molecule. Waste stream management isn’t optional, and over the years, our evaporation and neutralization steps have been customized to suit local regulations and internal commitment to safety. Early on in our scale-up efforts, we saw how subpar purification techniques left behind not just innocuous byproducts, but potentially hazardous traces of unreacted reagents. Catching and removing these at scale became a continual project, involving regular review and update of our in-house SOPs in response to feedback from our production and QA teams.

    At times we have faced interruptions in upstream reagent supply, especially with key trifluoromethylthiolating agents subject to market volatility. To keep pace with demand, we expanded local sourcing and worked with partners to ensure consistency. Active dialogue with both logistics teams and R&D chemists on the customer side lets us forecast and adapt, minimizing disruptions to end users. Transparency in sharing expected lead times and real-time inventory helps our clients plan with confidence and avoids “surprise” shortages farther down the supply chain.

    Temperature-sensitive shipments require extra attention. Our team shifted toward temperature-controlled and inert-atmosphere containers for global orders, based on lessons from tropical-climate shipping runs. Clients working in remote field stations or facilities without advanced storage often mention this extra effort as a difference-maker. If an especially sensitive custom lot is needed, we coordinate QA and QC checkpoints with the receiving facility so that samples integrate immediately into ongoing experiments.

    Collaborative Solutions and Responsive Product Development

    Much of our daily work involves responding directly to questions and needs from R&D teams using this acid as a core structural element in patent filings or early-stage process development. Whether it’s modifications to particle size, adapting the acid to new coupling technologies, or creating more stable formulations for field deployment, we treat each customer inquiry as its own technical project. Some partners need tailored packaging in smaller aliquots to suit high-throughput screening; others request bespoke blends or anhydrous batches for air-sensitive novel reactions.

    Our approach to product improvement remains grounded in continued feedback. If a downstream synthetic process stalls or throws unanticipated side reactions, we can trace and revisit the raw data, crosschecking from our own sample archives and manufacturing records. That means tighter communication with end users—not just taking orders, but partnering in troubleshooting and process optimization. This support model has paid dividends: customers return for new variants and trust us to keep pace with their evolving research targets.

    Our Experience: The Manufacturer’s Commitment

    Working as hands-on partners in the development of 4-(Trifluoromethylthio)benzoic acid has meant balancing innovation with reliability. Each kilo that leaves our plant carries the accumulated experience of dozens of cycles in scale-up, hundreds of analytical checks, and continuous adjustments to refine process parameters. We commit to transparency, sharing not only certificates and batch data but also lessons learned internally. If a challenge in reactivity or stability comes to light in external labs, we respond by reviewing our own processes, adjusting as needed, and communicating openly with the client.

    Our technical support comes directly from the production team—no scripts or intermediaries—so that questions get answers grounded in practical knowledge. This direct line means problems get identified and resolved rather than shuffled in the supply chain. In our view, supporting customer innovation starts with a willingness to solve problems together, and that ethos guides every batch we make.

    Looking Forward: Shaping the Future of Specialty Benzoic Acids

    The market for SCF3-bearing acids continues to grow, especially as more R&D departments push the limits of molecular design in competitive industries. Regulatory shifts, advances in analytical methods, and a stronger emphasis on sustainability challenge us to keep improving our synthesis and purification routes. We track developments in green chemistry closely, regularly reassessing our processes to minimize waste and offer more sustainable options. Open discussions with academic collaborators and industrial partners help us anticipate shifts; we seek to contribute to industry knowledge, not just respond to it.

    Rather than chasing every trend, we leverage our expertise with halogenated and fluorinated aromatics to target meaningful improvements in both product quality and customer workflow. The lessons we draw from years of production feed into every process upgrade. With every new client request and each process challenge, our methods sharpen. Our pride in the quality of 4-(Trifluoromethylthio)benzoic acid lies not just in technical numbers, but in daily feedback from the bench.

    In summary, bringing this specialty acid from concept to production means repeated learning and a readiness to adapt. Its differences compared to other products in the benzoic acid family go beyond chemical structure; they reflect a level of process understanding and responsiveness that shapes the daily efforts of our entire team. We see each successful outcome—whether in a patent, field trial, or product launch—as a testament to careful manufacturing, close collaboration, and an ongoing commitment to scientific excellence.