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4-Cyano-2-Fluorobenzoic Acid

    • Product Name 4-Cyano-2-Fluorobenzoic Acid
    • Alias 4-Cyano-o-fluorobenzoic acid
    • Einecs 841-913-4
    • 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

    925893

    Productname 4-Cyano-2-Fluorobenzoic Acid
    Casnumber 61749-98-6
    Molecularformula C8H4FNO2
    Molecularweight 165.12
    Appearance White to off-white solid
    Purity Typically ≥98%
    Meltingpoint 201-204 °C
    Solubility Slightly soluble in water; soluble in organic solvents
    Smiles C1=CC(=C(C=C1C#N)C(=O)O)F
    Inchi InChI=1S/C8H4FNO2/c9-6-2-1-5(4-10)3-7(6)8(11)12/h1-3H,(H,11,12)
    Storage Store at room temperature, keep container tightly closed
    Synonyms 2-Fluoro-4-cyanobenzoic acid

    As an accredited 4-Cyano-2-Fluorobenzoic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle labeled "4-Cyano-2-Fluorobenzoic Acid, 25g", features hazard symbols, CAS number, and storage instructions.
    Shipping 4-Cyano-2-Fluorobenzoic Acid is shipped in tightly sealed containers to prevent moisture and contamination. It is typically packed with cushioning material and clearly labeled as a chemical substance. Shipments comply with local and international regulations, including hazard labeling if required, and are transported via tracked, reliable carriers to ensure safe delivery.
    Storage 4-Cyano-2-Fluorobenzoic acid should be stored in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible substances such as strong oxidizers. Keep the container tightly closed and protect from moisture. Store at room temperature and avoid prolonged exposure to light. Clearly label the container and use proper personal protective equipment when handling the chemical.
    Application of 4-Cyano-2-Fluorobenzoic Acid

    Applications of 4-Cyano-2-Fluorobenzoic Acid in Industrial Manufacturing

    As a direct manufacturer, we supply 4-Cyano-2-Fluorobenzoic Acid for critical downstream industries leveraging its chemical structure for advanced synthesis. Below, we outline established industrial segments and specific end-use integrations.

    1. Pharmaceutical Intermediate for Antipsychotic and Cardiovascular Agents

    Major pharmaceutical production facilities rely on 4-Cyano-2-Fluorobenzoic Acid as a core building block during multi-step API synthesis, particularly for several classes of antipsychotic and cardiovascular drugs. Its unique cyano-fluoro substitution pattern supports palladium-catalyzed coupling, Suzuki or Buchwald–Hartwig aminations, and directed ortho metalation. Manufacturers introduce this compound in early to mid-phase synthesis steps, especially in the preparation of substituted benzamides and related heterocycles, assuring batch traceability and consistent impurity profiles aligned with regulatory requirements for APIs destined for regulated markets.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredient manufacturing
    • USP-NF (United States Pharmacopeia, National Formulary) guidelines—impurity control and residual solvents
    • EU EudraLex Volume 4, Part II (GMP requirements for APIs)
    • FDA 21 CFR Parts 210/211 compliance for drug substance production input materials

    Typical usage ratio

    • 0.6%–2.5% by mol in relation to main coupling/precursor substrate; adjusted by synthetic route design and desired target yield

    Downstream process integration

    • Added during first or second stage synthesis—coupling or amidation reactions
    • Subsequent steps may include catalytic hydrogenation and acylation directly using the aromatic acid moiety

    Final product types

    • Antipsychotic drugs (e.g., substituted benzamides)
    • Vasodilators used in hypertension therapies
    • Other CNS-active small molecule APIs

    2. Advanced Agrochemical Intermediates

    Manufacturers of modern herbicides and specialty pesticide actives incorporate this intermediate for constructing fluorinated and nitrile-substituted benzene skeletons necessary for next-generation agrochemicals. 4-Cyano-2-Fluorobenzoic Acid enhances selectivity and metabolic stability in downstream synthetic pathways such as nitrile group displacement and regioselective halogen exchange. Technical departments monitor residual levels at each transformation step as per agricultural regulations. Most commonly, it is integrated into the formulation route for benzoic acid-derived active ingredients.

    Industry compliance standards

    • EPA Title 40 CFR—Pesticide chemical regulations
    • ISO 9001:2015 Quality Management System for agrochemical production
    • REACH (EC) No 1907/2006 preregistration and substance notification for EU markets
    • OECD guidelines on chemical safety assessments in crop protection active ingredients

    Typical usage ratio

    • 1.5%–6% by weight as a substrate precursor relative to base phenyl compound mass; altered based on final molecule architecture

    Downstream process integration

    • Introduced during the initial condensation or chlorination steps
    • Undergoes selective transformation (aminolysis or etherification) as a core building block

    Final product types

    • Herbicidal benzoic acid analogues
    • Selective insecticide actives
    • Fluorinated agrochemical intermediates

    3. Electronic Chemicals and Liquid Crystal Precursors

    Our clients in electronics manufacturing utilize this compound when synthesizing high-purity functional materials for LCDs and OLED display components. The fine-tuned aromatic structure provides essential attributes in intermediate building blocks for liquid crystal monomers and specialty polyesters. This application requires strict QC aligned with the electronics sector, including elimination of ionic, metallic, and particulate impurities to ultra-trace levels. Integration generally occurs at the halogenated aromatic formation or subsequent nitrile conversion phase, with control over residual solvent footprint.

    Industry compliance standards

    • JEITA (Japan Electronics and Information Technology Industries Association) purity protocols
    • IPC-6012/6013 standards for electronics substrate materials
    • RoHS Directive (2011/65/EU) for hazardous materials restriction
    • SEMATECH purity and contamination control guidelines

    Typical usage ratio

    • 0.2%–1.1% by weight as a nucleophile or halide reactant; adjusted according to the target mesogen chain length and end-use molecular design

    Downstream process integration

    • Direct introduction during the aromatic coupling step to achieve the targeted mono- or di-substituted product
    • Employed before final methylation or esterification phases

    Final product types

    • Liquid crystal monomers for LCD panels
    • Display-grade polyesters
    • OLED intermediate fine chemicals

    4. Specialty Polymer and Resin Synthesis

    Polymer plants incorporate this fluorinated aromatic acid when developing high-performance engineering plastics and specialty resins, such as polyarylates and polyimides for automotive and industrial electronics. By providing enhanced hydrolytic stability and flame retardancy to the polymer backbone, the material is introduced primarily in aromatic diacid or diamine synthesis stages. Careful process monitoring ensures compliance with polymer-grade impurity and coloration limits critical for optical and electrical applications.

    Industry compliance standards

    • ISO 9001 and ISO 14001 for quality and environmental management in polymer production
    • UL 94 flammability rating for resins
    • GE Plastics technical norms for specialty resin quality control
    • ASTM D3418 for thermal analysis of polymers

    Typical usage ratio

    • 1.0%–4.0% by mole in diacid or diamine blending for copolymer or resin chain extension, varied by formulation targets

    Downstream process integration

    • Charged in initial batch blending or continuous polymerization setup with other aromatic monomers
    • Used prior to secondary curing or post-polymerization functionalization

    Final product types

    • High-temperature resistant polyimide films
    • Flame-retardant polyarylate resins
    • Engineered composite polymers for electrical and automotive housings

    5. Fine Chemical Synthesis for Dye and Pigment Intermediates

    Producers of specialty dyes and pigments opt for this material as an effective aromatic building block in the synthesis of advanced benzene and aniline derivatives. It imparts both electron withdrawing and steric properties, allowing for subsequent electrophilic aromatic substitution and directed diazotization. Integration occurs during the key formation of azo or anthraquinone precursors, where consistent impurity management is validated through frequent lot analysis according to fine chemical QC protocols.

    Industry compliance standards

    • ISO 21461 and EN 12878 for colorant raw material specification
    • REACH Annex XVII compliance for industrial dye use
    • Oeko-Tex Standard 100 for restricted substances screening in colorants
    • Sustainable Textile Production (STeP) by OEKO-TEX®

    Typical usage ratio

    • 0.8%–3.5% by batch, as determined by degree of substitution on the benzene ring and the type of final chromophore structure

    Downstream process integration

    • Reaction with primary amines or diazonium salts during the formation of colorant intermediates
    • Employed as a substitution partner in ring-functionalization processes

    Final product types

    • High-performance azo dyes
    • Fluorinated anthraquinone pigments
    • Specialty colorants for polyester and nylon fibers
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    Certification & Compliance
    More Introduction

    4-Cyano-2-Fluorobenzoic Acid: A Key Intermediate Strengthening Modern Synthesis

    Meeting the Needs of a Dynamic Chemical Landscape

    The production of 4-Cyano-2-Fluorobenzoic Acid reflects years of dedicated experience as a chemical manufacturer, committed to fine chemical purity and reliability. Every batch emerges from a facility that monitors every parameter—temperature, reagent flow, solvent choices—to lock in reproducibility and confidence. In this space, careless control means off-target isomers, higher purification costs, or failed downstream couplings. Tight quality standards aren’t just a regulatory requirement. They stem from the direct consequences we observe during client collaborations, process troubleshooting, and scale transitions.

    4-Cyano-2-Fluorobenzoic Acid, molecular formula C8H4FNO2 and CAS number 394-38-1, carries a cyano at the para position and fluorine at the ortho position, mapped onto a benzoic backbone. Small molecular changes like these often drive large-scale shifts for pharmaceutical and agrochemical intermediates. For over a decade, production teams have optimized everything from the initial halogenation to selective cyanation and careful acid workup, side-stepping the persistent hurdles that dog less robust methods. Impurity control in such syntheses actually comes down to hands-on vigilance, the way operators sense a reaction’s subtle color shift, or a seasoned engineer knows how a distillation column’s reflux ratio changes with scale.

    Specifications Our Customers Count On

    Clients working in custom syntheses and research have strict standards, especially around purity and isomer ratio. Typical batches present a purity exceeding 99 percent thanks to carefully selected solvents and column designs, not just routine analytics. Moisture content stays below 0.5 percent as monitored by Karl Fischer titration. Residual organic solvents are trimmed as low as practical, especially for pharmaceutical use where low detection limits matter. A melting point ranging between 151 and 155°C means batch consistency and easier handling in further transformations.

    Our analytics teams run every consignment through NMR, HPLC, LC-MS, and elemental analysis—methods developed both for validation and for answering the inevitable questions researchers and process labs pose. Analytical transparency develops trust. We share spectral data and insights from failed batches, because any anomalies turn into process improvements. Over the years, we’ve adapted purification strategies in response to these findings, such as switching to custom stationary phases for HPLC or tweaking crystallization temperatures to sharpen melting profiles.

    Practical Use: Building Blocks for Pharma, Agro, and Beyond

    In medicinal chemistry, 4-Cyano-2-Fluorobenzoic Acid often plays the role of an essential coupling partner or synthonic fragment. Those two substituents provide two powerful handles. The cyano group is prized for its electron-withdrawing power, activating the aromatic ring for nucleophilic aromatic substitution or cross-coupling reactions. Chemists regularly convert the cyano group to amides, acids, amines, or heterocycles, each transformation opening doors to novel lead compounds.

    The ortho-fluorine atom alters reactivity, not just by electronic influence but by changing molecular shape and metabolic fate—a topic drug design teams scrutinize closely. In one project, a leading pharmaceutical partner took advantage of this precise orientation, using the molecule to probe SAR (structure-activity relationship) in a new kinase inhibitor series. The outcome: a sharper, more selective activity profile, confirmed by our ability to supply reproducible lots at every research stage.

    Process chemists engaged in scale-up campaigns choose 4-Cyano-2-Fluorobenzoic Acid for its manageable handling—its solid-state stability, resistance to humidity-induced clumping, and ease of weighing or dissolving. Unlike some fluoroaromatics that require elaborate handling or hazardous reagents for cleanup, this compound washes clean in most standard crystallization solvents if the process is dialed in well.

    Agrochemical innovators also reach for this intermediate. The electron-donating and -withdrawing substitution pattern gives rise to novel bioactive ring structures found in modern crop protection agents. In formulating new herbicide or insecticide prototypes, researchers need consistent supply without batch-to-batch surprises. That comes only from direct, hands-on control, not outsourced or sporadically monitored production.

    Direct Differences from Other Benzoic Acid Derivatives

    Those new to designing with benzoic acid derivatives often ask what sets 4-Cyano-2-Fluorobenzoic Acid apart from neighboring compounds like 2-Cyano-4-Fluorobenzoic Acid or mono-substituted fluorobenzoic acids. Experience demonstrates that each change in the ring block can swing reactivity or downstream synthetic strategy. The position of the fluorine and cyano groups, and their combined electronic effect, shift both chemical reactivity and biological outcomes.

    For example, mono-fluorobenzoic acids lack the strong activating power for SNAr chemistry seen in this compound; they also miss out on the powerful tools for further functional group interconversions that the cyano enables. In the case of 2-Cyano-4-Fluorobenzoic Acid, one might expect similar properties, but everyday experience refutes that. The difference in positional isomerism doesn’t just lead to altered physical properties—it reshapes coupling selectivity, hydrolysis rates, and even solubility in the hands of formulators.

    Clients often find that simply swapping in another cyano- or fluoro-aromatic quickly dead-ends routes that their project needs. Downstream functionalizations, like Suzuki-Miyaura couplings or direct amidations, sometimes fail or give poor yields if the substituents lie in the wrong place. Real-world feedback from synthetic labs continually confirms: 4-Cyano-2-Fluorobenzoic Acid provides a combination of electronic tuning, manageable reactivity, and accessible downstream transformations at scales suitable for both discovery and pilot manufacture.

    Lessons from the Plant Floor and Scale-Up Lab

    It’s one thing to prepare a gram for the bench—another entirely to keep ton-scale manufacturing humming. In the early days, production sometimes ran into reproducibility issues due to inconsistent raw material supply or minor changes in reactor agitation. Production crews learned quickly the pitfalls of underestimating agitation rates for halogenations: poor mixing allowed side reactions, visible as off-color oils at workup. Through adjustments based on direct observation, we managed to lock in uniform distribution and reliable yields.

    Troubleshooting doesn’t end with batch records. Every operator, supervisor, and chemist learns from spill events, filter clogging, or occasional reactor fouling. One year, a subtle switch in an upstream cyanation reagent led to problematic contamination with meta-isomers. A seasoned technician spotted abnormal LC peaks early—resulting in containment before off-spec material entered the main blending tank. These day-to-day challenges shape how production lines evolve and serve as a reminder: experience in-house shapes process know-how better than any document or contract specification.

    Operating with End Application in Mind

    As a manufacturer, staying in close conversation with downstream R&D and process teams gives us better insight than spreadsheets alone. Synthetic chemists often share both complaints and bright ideas when dealing with challenging acids or ring systems. Their feedback points to evolving priorities—like even lower residual metal content to support new catalysis, or amplified purity specs as mass spectrometry sensitivity grows.

    Every pilot batch builds toward these real-world outcomes. Our QA teams chase new analytical standards not only because regulations tighten, but because drug and agrochemical companies explore emergent pathways that demand tighter specs. End-use realities—like formulation stability, impurity profile, or required chiral purity—lead us to invest not just in equipment, but in analytical flexibility and staff training.

    Environmental Responsibility and Continuous Process Improvement

    Manufacturing specialty aromatics brings environmental responsibilities that can’t get ignored. We’ve invested in closed-loop solvent recovery and upgraded scrubbing systems to keep fugitive emissions in check, rather than sending streams directly to waste. Solvent selection in the early synthetic steps often dictates the difference between hazardous volumes and more benign, contained processes—insights that flow directly from plant operators and process development teams working together.

    Over time, reducing waste output has trimmed not just costs but community risk, and allowed for more nimble response to new compliance standards. The lab teams saw firsthand how small changes—such as switching to milder acids or running distillations at lower pressure—lead to safer, more scalable operations. This mindset, learned on site, guides our decision to pursue greener synthetic routes wherever feasible.

    Supply Chain Resilience: From Raw Material to End User

    Spot shortages or delays for 4-Cyano-2-Fluorobenzoic Acid ripple through R&D timelines and downstream manufacturing. Our procurement and raw material testing process was born out of failures in the past—late shipments, inconsistent quality, or unvetted sources leading to off-batch material. Rather than chasing lowest market price, we double down on long-standing relationships with specialty chemical suppliers, demanding documented lineage, full lot traceability, and periodic on-site visits.

    During worldwide disruptions, the flexibility we built into the production schedule allowed us to reallocate reactor time and keep deliveries moving, while other facilities struggled with shutdowns or unplanned backorders. End-use manufacturers, especially those dealing with tight project timelines, count on more than just a product spec—they need continuity and transparent communication in times of uncertainty.

    Successes and Setbacks: What Decades of Experience Teach

    Success often means avoiding small mistakes that turn into big setbacks. Here, hands-on manufacturing teaches us to look for little cues—solubility differences, particle morphology after crystallization, quenching exotherms that run hotter than models predict. This attention to detail is the foundation of making advanced building blocks like 4-Cyano-2-Fluorobenzoic Acid at quality levels customers demand.

    For example, early efforts at switching to continuous synthesis showed obvious virtues, but adaptive control systems sometimes missed subtle mechanical fouling, leading to partial blockages and off-spec product. Rather than doubling down, we pulled back and addressed the mechanical and analytical blind spots. Improvements now allow us to ramp up throughput, co-monitor side-reaction fingerprints, and intervene before quality drops.

    Clients notice these incremental gains. Pharmaceutical partners report reduced analytical deviations batch-on-batch. Academics cite higher synthetic success when they order larger-scale lots versus pilot samples. People often ask for custom modifications—a salt form, a slightly different crystalline modification, or ultra-low metal content for advanced catalysis—based directly on their evolving lab needs.

    Serving the Future: Collaboration with Chemists and Innovators

    Direct input from users—whether pharma, agroscience, or advanced materials—shapes ongoing upgrades. After hearing repeated feedback around lower halogen content in trace analysis, we invested in process tweaks and new quality checks. Buyers in emerging pharmaceutical applications have pressed for ultralow detection limits for genotoxic impurities; feedback like this led us to overhaul analytical protocols and change raw material suppliers after rigorous due diligence.

    Efforts like these help bridge the persistent gap between bench-scale innovation and commercial execution. Customization at the lot level, transparent documentation, and quick problem-solving are the result of lessons learned from years of direct production and end-user dialogue, not theoretical specification writing.

    4-Cyano-2-Fluorobenzoic Acid in Perspective

    Producing this compound goes far beyond commodity chemical handling. Its double-functionalization, robust physical properties, and reliable purity profile empower medicinal and process chemists to shorten route scouting and R&D. As processes evolve—with sharper analytical radii, stricter regulatory review, and ever-demanding formulation needs—direct manufacturing experience drives adaptation and improvement.

    Collaborating closely with research, scaling up without gaps in quality, and staying ahead in process analytics all count for more than surface-level product claims. 4-Cyano-2-Fluorobenzoic Acid isn’t just another SKU amid a sea of benzoic acid derivatives. Its impact on innovation comes from the combined confidence in each lot, forged through process vigilance, quick adaptation at the plant level, and conversation with real-world users pushing the boundaries of science.

    Real Results, Not Just a Product

    Our journey with 4-Cyano-2-Fluorobenzoic Acid carries the fingerprints of everyone—chemist, operator, engineer—who has worked to tune its production for the ever-shifting world of fine chemicals. Whether destined for new-generation pharmaceuticals, smart agrochemicals, or unexplored research frontiers, each shipment draws on this practical knowledge base and a shared drive to keep pushing quality forward. For those charting new synthetic routes or hunting for the next lead compound, our role stays fixed: deliver reliability, transparency, and continuous improvement, batch after batch.