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1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid

    • Product Name 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
    • Alias 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
    • Einecs 689-635-6
    • 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

    679437

    Chemical Name 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
    Cas Number 877399-52-5
    Molecular Formula C11H7F3N2O2
    Molecular Weight 256.18
    Appearance White to off-white solid
    Melting Point 172-176 °C
    Solubility Slightly soluble in water, soluble in DMSO and methanol
    Purity Typically >98%
    Storage Conditions Store at room temperature, keep container tightly closed
    Smiles C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C(=O)O
    Inchi InChI=1S/C11H7F3N2O2/c12-11(13,14)9-7(10(17)18)15-16(8-4-2-1-3-5-8)6-9/h1-6H,(H,17,18)

    As an accredited 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing White, sealed HDPE bottle containing 25 grams of 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, labeled with chemical and hazard information.
    Shipping **Shipping Description:** 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid will be shipped in tightly sealed, chemical-resistant containers, clearly labeled, and packed with appropriate cushioning materials. Shipment will comply with all regulations for research chemicals, including temperature control and necessary documentation, ensuring safe, secure delivery to the specified address. Handle with care upon receipt.
    Storage Store 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid in a tightly sealed container, protected from light and moisture, in a cool, dry, and well-ventilated area. Keep away from incompatible materials such as strong bases and oxidizing agents. Follow standard laboratory safety protocols and ensure appropriate labeling. Use personal protective equipment when handling to avoid skin and eye contact.
    Application of 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid

    Applications of 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid in Industrial Manufacturing

    As a direct manufacturer, we support several high-value industrial sectors with 1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid. This compound enables advanced chemical synthesis in pharmaceutical, agrochemical, and specialty chemical production, where exact conformance to technical standards is essential. Below we present detailed application scenarios in real downstream industries, supported by our experience in multi-ton supply and formulation partnerships.

    1. Pharmaceutical Intermediate for Antiinflammatory Drug Synthesis

    Leading pharmaceutical manufacturers adopt this pyrazole carboxylic acid as a core intermediate in non-steroidal anti-inflammatory drug (NSAID) synthesis. The compound’s trifluoromethyl substituent improves metabolic stability in pyrazole-derived pharma actives, supporting synthetic routes for advanced-generation actives. Material traceability and impurity control are closely monitored to meet audit requirements for regulated market launches.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredient Manufacturing
    • USP, EP, JP Pharmacopoeia Monographs (intermediate compliance)
    • FDA 21 CFR Part 210/211 API Traceability Requirements
    • European REACH Raw Material Registration

    Typical usage ratio

    • Used at 0.2–0.6 molar equivalents per final API batch, adjusted by synthetic route
    • Amount determined by target pyrazole core yield
    • In-process analytical checks guide precise charge during scale-up

    Downstream process integration

    • Charged during pyrazole condensation stage after initial feedstock activation
    • Subjected to amide bond formation, halogenation, then direct to purification
    • Ensures specific functionalization before downstream biological assay validation

    Final product types

    • COX-2 selective NSAIDs
    • Experimental anti-inflammatory agents
    • Intermediate for veterinary APIs containing pyrazole scaffolds
    • Research-grade pharmaceutical reference compounds

    2. Herbicide Active Ingredient Precursor in Agrochemicals

    Our manufacturing partners in the agrochemical sector rely on this compound’s ring structure as a building block for selective herbicides. The material’s electron-withdrawing trifluoromethyl group increases final product soil persistence and bioactivity. Downstream operators demand thorough impurity profiling due to strict maximum residue limit (MRL) guidelines across global agrochemical markets.

    Industry compliance standards

    • FAO/WHO Specifications for Pesticide Active Ingredients
    • European Regulation (EC) No 1107/2009 for Plant Protection Products
    • ISO 9001:2015 for Process Control in Agrochemical Synthesis
    • US EPA 40 CFR Part 158 Data Requirements for Pesticides

    Typical usage ratio

    • Mixed at 0.25–1.5 parts per part of final active, varying by synthetic step and required yield
    • Ratio adapted according to downstream methylation/hydroxylation conditions

    Downstream process integration

    • Inserted after initial condensation step in core herbicidal active synthesis
    • Enters process before halogenation and coupling to side-chain moieties
    • Subjected to flash column chromatography for impurity control before formulation

    Final product types

    • Pyrazole-based pre-emergent herbicides for cereal and soybean cultivation
    • Herbicide-tolerant trait crop protection molecules
    • Technical-grade agrochemical intermediates for further formulation
    • Custom synthesis building blocks for contract R&D in crop science companies

    3. Specialty Intermediate in High-Temperature Polymer Synthesis

    The trifluoromethyl-substituted pyrazole acid serves as a specialty intermediate for producers of engineered polymers needing high thermal and hydrolytic stability. Downstream resin manufacturers integrate this compound into backbone modification reactions to enhance mechanical performance and resistance to aggressive chemicals. Each lot ships with full documentation for trace impurity and moisture control, as required by advanced material certification audits.

    Industry compliance standards

    • ISO 9001:2015 for Process Consistency in Specialty Chemicals
    • REACH Annex XVII Registration for Monomer Use in Polymers
    • Manufacturer-specific QC protocols for additive/intermediate validation
    • ASTM D4066 (Polymer Test Methods for Additives)

    Typical usage ratio

    • Blended at 2–10% by weight for copolymer backbone modification
    • Ratio controlled by desired glass transition and modulus improvements

    Downstream process integration

    • Introduced into main polymerization kettle following chain initiator feed
    • Subjected to high-temperature, pressure-controlled reaction conditions
    • Monitored for residual monomer content by batch release QC

    Final product types

    • High-performance polyimides
    • Thermally stable specialty polymers
    • Engineered plastics for aerospace and electronics
    • Custom-formulated coatings and adhesives

    4. Intermediate for Industrial Dye and Pigment Synthesis

    Producers of specialty dyes and pigments use this material as a pyrazole scaffold, favoring it for its stability under high-temperature coupling and diazotization. It supports synthesis of bright, fade-resistant colorants where controlled electronic effects and functional groups are important for color fastness in textile and plastic use. Our supply includes full batch traceability to support downstream quality auditing.

    Industry compliance standards

    • EN 71-3 Safety of Toys - Migration of Certain Elements (for pigments/dyes)
    • OEKO-TEX Standard 100 Chemical Compliance (for textile dyes)
    • REACH Regulation (EC) No 1907/2006 for Colorant Registration
    • Customer-specific hazardous amine release control standards

    Typical usage ratio

    • Added at 0.1–0.5 equivalents per dye or pigment batch
    • Usage varies with target chromatic and light fastness properties

    Downstream process integration

    • Reacted in the colorant coupling stage post-primary aromatic amine synthesis
    • Undergoes diazotization or azo-coupling to introduce desired chromophore
    • Purified by solvent extraction or vacuum distillation prior to downstream milling

    Final product types

    • High-performance textile dyes
    • Solvent-stable plastic and fiber pigments
    • Color concentrates for automotive and industrial coatings
    • Research-grade specialty dye intermediates

    5. Custom Synthesis Building Block for CRO & CDMO R&D Projects

    Contract Research Organizations and Custom Development and Manufacturing Operators request this compound for niche synthesis of pyrazole motifs, particularly in early-phase drug, agrochemical, and material lead optimization studies. Detailed impurity and polymorph data are routinely provided for these partners, supporting patent filing and preclinical submission requirements.

    Industry compliance standards

    • ISO 13485:2016 for chemical intermediate traceability (where applicable)
    • Good Laboratory Practice (GLP) for analytical and tox trials
    • CRO/CDMO-specific supplier qualification protocols
    • International Council for Harmonisation (ICH) Q11 for development intermediates

    Typical usage ratio

    • Charged at 1–25 mmol per batch depending on synthetic scale and library requirements
    • Usage scaled to fit target exploratory synthesis or late-stage intermediate need

    Downstream process integration

    • Introduced during key formation steps in exploratory organic syntheses
    • Reacted under inert atmosphere or protected from moisture as required
    • Handled in anhydrous conditions to maximize yield and selectivity

    Final product types

    • Structure–activity relationship (SAR) study compounds
    • Advanced intermediates for patent application
    • Chemical libraries for preclinical screening
    • Reference materials for analytical labs
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    Certification & Compliance
    More Introduction

    1-Phenyl-5-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid: Production Insights and Real-World Utility

    Decades of Experience Shaping Quality Pyrazole Derivatives

    Manufacturing 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid isn’t a job for facilities chasing short-term trends. Our days in the plant start long before sunrise, with chemists and operators working together to refine processes that turn aromatic and trifluoromethyl chemistry into tangible results. This isn’t a commodity for the broad market; this molecule stands out in the specialty segment where niche properties drive demand, particularly among agrochemical developers and advanced material researchers.

    Our Synthetic Approach: Precision and Consistency Matter

    We don’t simply rely on batch reproducibility. We revisit each reaction step, whether it’s the diazotization, cyclization, or CF3-introduction, making adjustments batch after batch to raise yields and purity. Years ago, early methods left behind by-product contamination that limited downstream applications. Gaining control over those variables, we reinforced analytical checkpoints from raw input to isolated acid, cutting down on color impurities and streamlining crystallization—less downtime and fewer unknowns for our customers.

    Production runs under strictly controlled moisture and oxygen exposure. Unwanted hydrolysis or side reactions escalate costs and lower quality, but our team has established handling and storage regimens that protect both intermediates and finished acid. It’s a challenge every pyrazole derivative manufacturer faces: stability and handling make or break entire production seasons.

    Specifications Shaped by Producer Experience

    Any laboratory can set purity specs on paper. Reliable purity manifests only after repeated campaigns through scale-up, filtration, drying, and packaging. We set our minimum purity based on the limits we can consistently meet after solvent exchange and careful temperature control. Each batch lands at or above 98% by HPLC, with water content checked by Karl Fischer titration. Our NMR spectra rotate through both 1H and 19F, rooting out lingering peaks that might slip by less meticulous operations.

    Particles range from fine powder to flowing crystalline aggregates, and we dial in the grind for large-scale shipments where customers request tighter sieve fractions or easier transfer properties. We keep residual solvents below standard thresholds, as trace organics have proven problematic for pharmaceutical or fine chemical customers running their own derivatizations.

    Differentiators: What Sets This Pyrazole Derivative Apart

    Pyrazole chemistry covers a broad field, with tiny substitutions rewriting a molecule’s properties. This acid’s phenyl group at the 1-position and the trifluoromethyl at the 5-position give it several distinctions over more generic pyrazole carboxylic acids. The 4-carboxylic acid functionality adds versatility for further coupling and salt formation. From our manufacturing perspective, the electron-withdrawing trifluoromethyl substantially shifts reactivity, making certain intermediates more stable and improving shelf life — even before the acid leaves our warehouse.

    Unlike plain pyrazole-4-carboxylic acids, the presence of fluorine boosts hydrophobicity and metabolic stability. This quality makes the compound a favorite scaffold for agrochemical leads, where resistance to enzymatic breakdown in plants and soils can extend the working life of active ingredients. Over the years, we’ve supplied material for libraries screening herbicidal and fungicidal prototypes, where researchers note improved field trial consistency linked directly to fluorinated structure. Our ongoing collaboration with formulators has taught us the importance of low ionic contamination; we updated our wash protocols to keep metal content minimal, targeting the needs of high-throughput screening projects.

    Several products enter the field with only odorous, off-color grades, but we’ve invested in additional drying units and enclosed packaging lines to eliminate off-gassing that can damage delicate synthetic routes. Returns and rejections due to trace decomposition prompted us, years ago, to switch inert atmospheric packaging for every drum and pouch—not as a gimmick, but because an end-user’s clean reaction rarely comes from a product that sat weeks in sunshine or humidity.

    Usage Insights: Real Needs Drive Each Innovation

    We see, firsthand, the compound move through research departments exploring new crop protection agents, dyes, and building blocks for pharmaceutical candidates. In the plant, we tailor production volumes to match these needs. Large agrochemical operations purchase hundreds of kilograms for pilot syntheses, while university consortia focus on gram quantities for early-stage diversification chemistry. With each group, the question remains: does this batch behave the same way it did last quarter? We hold samples, track batch history, and stay involved through technical support when customers run into solubility or formulation questions.

    In classic applications, chemists take advantage of the acid’s reactivity—synthesizing amides, esters, or coupling it directly to other heterocycles. Its unique combination of aromatic and fluorinated structure presents higher selectivity in coupling reactions and often delivers improved biological profiles. Over time, we’ve seen scientists surprise us, using it as a key intermediate for advanced polymers or targeting agents, where its robust stability opens doors to new applications that didn’t exist when we refined the process.

    In our experience, feedback loops push our quality higher. Customers rely on predictable melting points and spectral data. Issues with caking, flow, or static create headaches in automated feed systems. By keeping dialogue open with formulation specialists, we respond quickly: switching sieve sizes, adjusting packaging options, or delivering earlier analytical data when a product is headed outside routine uses.

    Comparing to Other Pyrazole Carboxylic Acids: Fluorination Sets the Difference

    Not all pyrazole-4-carboxylic acids behave the same in the lab or the field. Our production lines handle both the simple, non-fluorinated versions and the more complex analogues. Fluorination isn’t just a detail. Subtle changes in hydrophobicity, thermal stability, acid strength, and reaction rates stack up—making or breaking a process when margins are thin.

    Standard pyrazole-4-carboxylic acid, without the phenyl or trifluoromethyl groups, dissolves in water too easily for some synthetic applications, and its susceptibility to oxidative degradation led to repeated returns early in our operation. By contrast, our 1-phenyl-5-(trifluoromethyl) acid withstands harsher storage, and its laboratory performance outpaces the generic acids on both shelf life and reactivity with electrophilic partners.

    In the context of structure-activity relationships, a single CF3 can drive entire class-wide upgrades in drug metabolism or environmental safety. Over our years of production, we have watched agricultural clients replace other boosters with this motif, based only on field trial data. The molecular difference translates into real, observed benefits: fewer breakdown products, less environmental migration, and tighter dose-response curves.

    Some customers initially approached us seeking to save costs by mixing several pyrazole acids into screening campaigns. The reality, after lab verification, remains clear—downstream synthetic steps benefit from the specific properties of the trifluoromethyl-phenyl variant, especially when robustness and clean conversion matter. We invest in purity not just for marketing, but because repeated user experience teaches us which trace contaminants disrupt catalysis or final bioassays.

    Logistics and Deliverability Stem from Producer Accountability

    Unlike intermediaries who race to move containers, our manufacturing footprint means direct control over each shipment. No delay between packaging and shipping, with staff overseeing outbound analytics at the same scale as internal QC. Any deviation—be it packaging seam or moisture ingress—gets caught on our end, long before it lands in a downstream reactor. This minimizes supply chain disruptions and lets our customers plan around exact replenishment cycles.

    Fulfilling orders from a single, integrated plant creates a simpler route for traceability. Recipients with regulatory or environmental responsibility appreciate picking up the phone and speaking to team members with first-hand production knowledge. No one is chasing details through layers of importers and third-party vendors. Managing shelf life, storage guidance, or deviations becomes an in-house responsibility, not a pass-through obligation.

    Order customizations aren’t limited to scale or drum size. Certain applications—especially those bound for regulated fields—call for additional analytical documentation. We readily insert full NMR, IR, LC-MS printouts, and even retention samples with shipments, because we know from years of inspection visits how frustrating absent paperwork becomes down the line.

    Continual Improvement: Listening to the Bench and the Plant

    Every plant supervisor, process chemist, and shipping coordinator in our operation knows the real cost of an out-of-spec batch. Waste, reprocessing, and delayed delivery stretch resources thin and can delay entire research projects. Over the past decade, gradual process refinement—anchored by both customer-driven requests and internal root-cause analysis—transformed the way we handle this acid. Tracked complaints turn into process upgrades, with maintenance schedules adjusted during campaign shutdowns rather than crisis-driven stoppages.

    Employees receive cross-training not just on their own reaction or packaging line, but also in routine batch release testing. This interdepartmental knowledge staves off most hiccups before they spiral outwards—giving us confidence that the acid leaving our gate today matches the same high bar as our best historical lots.

    Market Trends and Challenges: Addressing Real-World Barriers

    Production of fluorinated building blocks, including 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, doesn’t run immune to changes in global raw materials, environmental regulation, or shipping disruptions. Recent years brought volatility in key reagents. We responded by diversifying sources and, at times, running parallel validation on alternate grades of trifluoroacetylating agents to keep purity and consistency steady.

    Environmental impact remains a real concern, going beyond buzzwords. Waste minimization isn’t optional. Each campaign, we collect, treat, and recycle solvents where possible. Spent mother liquors get sent for destruction or reclamation, never dumped. Staff training now includes annual environmental briefings, and technology upgrades have closed fugitive vapor losses that once plagued the plant. For partners concerned about downstream environmental reporting, these practices directly translate to fewer headaches in compliance audits.

    In the regulatory field, ever-tightening purity standards place pressure on all producers. Adapting process controls and analytical sensitivity helps us stay ahead, while customer feedback drives most specification upgrades—never twiddling thumbs while competitors push for incremental changes. In practice, this means investing continually in chromatography, mass spectrometry, and residue analytics, because compliance one year doesn’t guarantee compliance the next.

    Beyond Product: Standing Behind Every Kilo

    Making 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid goes beyond holding a valid CAS number or supplying a product that hits average quality. Each drum carries the labor, trials, and accumulated insight of operators and chemists who know the real-world impact of their work. We understand the difference between a bottle that gathers dust on a distributor shelf and a batch that advances a new compound through pre-clinical or field evaluation.

    The last thing we want is to ship uncertainty. With decades of close contact between floor, lab, and customer, we keep raising our standard—not just because auditors demand it, but because every batch reordered tells us which improvements matter most. Whether destined for a global agrochemicals lab, a small academic synthesis, or a pilot line for advanced materials, this specialty acid leaves our plant reflecting both current best practice and the lived experience of our entire production team.