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Ethyl 3-Bromo-4-Fluorobenzoate

    • Product Name Ethyl 3-Bromo-4-Fluorobenzoate
    • Alias 3-Bromo-4-fluorobenzoic acid ethyl ester
    • Einecs 834-055-8
    • 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
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    Specifications

    HS Code

    344962

    Product Name Ethyl 3-Bromo-4-Fluorobenzoate
    Cas Number 66495-52-1
    Molecular Formula C9H8BrFO2
    Molecular Weight 247.06 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 270-272 °C
    Density 1.551 g/cm3
    Refractive Index 1.517
    Purity Typically ≥97%
    Smiles CCOC(=O)C1=CC(=C(C=C1)Br)F
    Synonyms 3-Bromo-4-fluorobenzoic acid ethyl ester
    Solubility Soluble in organic solvents (e.g., dichloromethane, ethanol)
    Storage Store at room temperature, away from light and moisture

    As an accredited Ethyl 3-Bromo-4-Fluorobenzoate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

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    Application of Ethyl 3-Bromo-4-Fluorobenzoate

    Applications of Ethyl 3-Bromo-4-Fluorobenzoate in Industrial Manufacturing

    Ethyl 3-Bromo-4-Fluorobenzoate is a crucial intermediate deployed in highly specialized chemical synthesis processes within the fields of pharmaceuticals, agrochemicals, advanced materials, and fine chemicals. As the original manufacturer, we supply this intermediate to leading downstream processors who require stringent compliance, precise formulation tailoring, and proven integration into regulated production lines. Below, we outline key industrial scenarios in which this raw material supports innovation and efficiency.

    1. Pharmaceutical API Intermediate Synthesis

    This compound serves as a building block in the synthesis of active pharmaceutical ingredients, especially in manufacturing fluorinated and brominated benzene core drugs. Pharmaceutical manufacturers value its functionality in constructing complex scaffolds with controlled halogenation patterns, which are essential for targeted medicinal chemistry programs. Production lines employ this intermediate at defined steps to ensure batch consistency and compliance with regulatory frameworks governing drug safety and purity.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP) as outlined by FDA 21 CFR Parts 210/211
    • ICH Q7 Guideline for Active Pharmaceutical Ingredients
    • European Pharmacopoeia (Ph. Eur.) for designated APIs
    • Chinese Pharmacopoeia when specified by domestic formulators

    Typical usage ratio

    • Dosage varies from 0.12 to 0.43 molar equivalents per batch depending on the molecular complexity and target yield; precise adjustment based on route optimization in medicinal chemistry scale-up.

    Downstream process integration

    • Incorporation at the halogenation or acylation phase, typically following initial aromatic substitution and prior to heterocycle construction, with critical control points for purity testing and impurity profiling.

    Final product types

    • Fluorinated benzamide-based APIs, oncology drug precursors, CNS-active small molecules, and compounds listed under investigational new drug (IND) filings.

    2. Agrochemical Intermediate for Crop Protection Agents

    Leading agrochemical enterprises use this benzoate ester to construct substituted aromatic rings found in modern herbicides and fungicides. The presence of both bromo and fluoro functionalities facilitates coupling reactions that deliver robust biological activity profiles and selective toxicity, essential in safeguarding crop health. Quality control includes trace-level impurity assessment to meet stringent environmental and residue standards in the formulated products.

    Industry compliance standards

    • FAO/WHO Pesticide Specifications (FAO/WHO Joint Meeting on Pesticide Specifications, JMPS)
    • ISO 9001:2015 for quality management in pesticide production
    • REACH (EC No 1907/2006) requirements for agricultural chemicals marketed in Europe
    • OECD Environmental Risk Assessment Guidelines

    Typical usage ratio

    • Used at 0.08–0.25 molar equivalents per synthesis batch, depending on desired aromatic substitution density in the target active molecule.

    Downstream process integration

    • Addition at the aromatic substitution or esterification stage, typically before sulfonation or thioether formation; handled in closed batch reactors with integrated vent capture systems for compliance with emission controls.

    Final product types

    • Fluorinated benzoic acid-based herbicides, systemic fungicides, and pre-emergent active ingredient concentrates for crop protection blends.

    3. Fine Chemicals Production for Specialty Dyes

    Manufacturers in the specialty dye sector rely on this intermediate during the synthesis of high-performance colorants used in electronics, plastics, and textile markets. The specific halogen pattern provided facilitates tailored chromophore construction, supporting the development of dyes with strong UV stability and unique absorption spectra. Downstream usage mandates consistent purity and batch-to-batch reproducibility across production runs destined for optoelectronic and technical textile applications.

    Industry compliance standards

    • OEKO-TEX Standard 100 for textile chemical safety
    • EU REACH Annex XVII restrictions for aromatic amines and halogenated compounds
    • ISO 9001:2015 for chemical manufacturing quality systems
    • GHS labeling and hazard communication compliance

    Typical usage ratio

    • Introduced at 1–3% by mass relative to total batch weight, with precise dosing according to target chromophore substitution patterns and reactivity requirements.

    Downstream process integration

    • Direct input to the aromatic coupling or condensation stage after sulfonation, maintaining reaction environment anhydrous to prevent side product formation and ensure color purity.

    Final product types

    • Halogenated azo and anthraquinone dyes for technical textiles, light-fast pigments for electronics, and UV-stable coatings for plastics and automotive parts.

    4. Advanced Material Monomer Synthesis

    High-performance polymer and resin producers implement this benzoate ester in the design of functional monomers that impart flame retardant, chemical resistance, or dielectric properties to final materials. Control over the introduction of bromine and fluorine into monomer frameworks allows tailoring of both physical properties and regulatory compliance, critical in electronic component encapsulation or specialty coatings. Stringent analytical monitoring ensures conformance to end-use requirements across each manufacturing run.

    Industry compliance standards

    • UL 94 standards for flammability of plastic materials
    • RoHS Directive (2011/65/EU) on restriction of hazardous substances
    • IEC 61249-2-21 for base materials in printed circuit boards
    • ISO 14001 for environmental management during syntheses involving halogenated materials

    Typical usage ratio

    • Monomer feed ratio typically ranges from 0.5 to 2.1 molar equivalents per batch, adjusted depending on degree of substitution and polymer chain length required by end-use specification.

    Downstream process integration

    • Introduction at the monomer synthesis phase, before polymerization or polycondensation; material handling often employs closed-system feeding with real-time QC for halogen content and purity profile confirmation.

    Final product types

    • Brominated and fluorinated epoxy resins for printed circuit boards, high-dielectric phenolic resins, and specialty polymers for flame-retardant barrier films.

    5. Custom Synthesis for Contract Research and Discovery Chemistry

    Custom manufacturing partners and contract research organizations incorporate this intermediate into exploratory synthesis campaigns targeting new molecular entities or advanced intermediates. The unique halogen arrangement supports SAR (structure–activity relationship) exploration, providing lead compounds with distinct reactivity for subsequent modification. Compliance with documentation and traceability protocols is paramount in serving clients operating in regulated R&D environments.

    Industry compliance standards

    • ISO 13485 for research chemicals in medical device discovery
    • GLP (Good Laboratory Practice) for traceability and batch integrity during preclinical research
    • OECD Guidelines for Testing of Chemicals in research-scale syntheses
    • GHS classification and SDS documentation for laboratory use

    Typical usage ratio

    • Dependence on exploratory scale, typically 0.05–0.30 molar equivalents, with adjustments made for route scouting, lead optimization, and impurity assessments in multi-step sequences.

    Downstream process integration

    • Employed during initial construction of substituted aromatic scaffolds or during key halogen-exchange reactions, feeding into rapid parallel synthesis platforms and high-throughput screening workflows.

    Final product types

    • Reference intermediates for SAR studies, early-stage pharmaceutical leads, novel agrochemical prototypes, and specialty molecular standards for analytical method validation.
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    More Introduction

    Ethyl 3-Bromo-4-Fluorobenzoate: A Closer Look at a Modern Chemistry Tool

    Chemistry relies on careful choices—of reactants, of techniques, of raw materials. Ethyl 3-Bromo-4-Fluorobenzoate earns its place in this conversation by offering unique chemical traits wrapped in a familiar benzoate backbone. It’s a compound that doesn’t simply check boxes on a specification sheet; it pushes research forward, especially in laboratories chasing new organic molecules.

    Getting to Know the Compound

    This compound stands out with its bromo and fluoro groups on the aromatic ring. The fluorine at the fourth position and bromine at the third fine-tune its chemical behavior. While some might see another benzoate ester in a bottle, seasoned chemists spot a workhorse that opens up tough reactions, preparing the way for more complex molecules. The clear, pale liquid with a slightly aromatic odor signals purity, an unspoken assurance the synthesis starts right.

    I’ve spent years moving between the bench and the desk, hunting for reagents that do what the label promises. Ethyl 3-Bromo-4-Fluorobenzoate, with a molecular formula of C9H8BrFO2 and a molar mass just over 247 grams per mole, offers predictability. It melts where it should, boils in a narrow window, and responds consistently to known solvents. These aren’t just academic details—they mean the difference between lost time and breakthrough results.

    Why Researchers Grab This Reagent

    If you’ve worked in a medicinal chemistry group, this ester is not unfamiliar. The bromine atom sits ready for directings cross-coupling reactions—Suzuki, Heck, or Sonogashira—the staples of modern drug discovery. The para-fluoro provides extra stability to the aromatic system, a feature prized when you’re building assets meant to survive inside the body.

    Many benzoate esters come off as plain scaffolds for further modification, but Ethyl 3-Bromo-4-Fluorobenzoate brings more. That mix of electron-deficient and electron-rich positions on the ring steers selectivity. This is chemistry’s version of street smarts: a compound knowing just when and where to react. It’s a pattern I’ve seen pay off in both early-stage exploratory work and final push synthesis.

    Specifications That Matter to Real Work

    In my experience, labs rarely fuss over specifications for their own sake; they care about outcomes. Purity—often greater than 98%—matters because trace amount of impurity can side-track a multi-step synthesis. Melting point remains tight, signaling structural integrity. Bottles arrive well-sealed, and the ester resists hydrolysis long enough for multiple runs.

    Handling the substance brings no surprises. Standard lab gloves and goggles keep you safe, but no extra hurdles crop up. The physical state—liquid or solid, depending on the temperature—offers flexibility. I’ve used it both straight from the fridge and room ambient, watching it dissolve easily in ethyl acetate, dichloromethane, and even methanol.

    Comparing to Other Products in the Lab

    A fair number of researchers default to non-halogenated benzoates or stay with single-halogen aromatics, especially those lacking both bromo and fluoro groups. These alternatives come with their own sets of tricks, but they don’t offer the dual-reactivity that Ethyl 3-Bromo-4-Fluorobenzoate unlocks. Fluorine brings metabolic stability and an extra handle for NMR characterization. Bromine, on the other flank, answers the call for palladium-catalyzed couplings.

    Some esters come cheaper, some are less reactive, and some miss the window for modern cross-coupling. Having both substituents on this nucleus means one compound replaces the need for two or more alternatives. This efficiency often cuts down reaction steps or limits the number of purification cycles. That matters in both academic and industrial settings, especially when scaling up.

    Using This Benzoate in Synthesis

    A team looking to build a fluorinated biphenyl might start here. They run the brominated end through Suzuki coupling, introducing custom moieties borrowed from boronic acids or esters. The fluoro group stands its ground, rarely getting involved until invited by strong nucleophiles—ideal for multistep procedures. The results show up again and again in preliminary patents, new ingredient filings, and journals touting next-generation pharmaceuticals.

    I’ve watched junior researchers amazed at how one ester feeds both demanding organic syntheses and more routine derivatizations. Its role spreads further in materials chemistry. Layering fluorobenzene traits onto frameworks for OLED devices, or prepping specialty polymers with halogenated patterns—this compound fits them all. Available data suggest it holds up well under thermal treatment, a requirement for advanced manufacturing.

    Reliability and Trust in Source

    Years in chemistry teach you to appreciate products from reputable suppliers; nobody wants to sacrifice a month’s work to a lingering contaminant. Leading brands back this compound with analysis certificates and up-to-date batch testing, supporting transparency. I’ve checked certificates myself, confirming NMR, GC, or LC/MS signatures match published references. Good suppliers readily share these proofs—part of building lasting trust between bench and marketplace.

    Some students experience sticker shock at higher-end chemical suppliers, but hidden in the price is a promise: reproducibility. Reliable Ethyl 3-Bromo-4-Fluorobenzoate doesn’t sabotage your reactions with interferences. Every bottle should enable teams across the world to compare results, each confident they’re starting from shared ground.

    Current Applications: From Discovery to Development

    Drug discovery teams chase new structures daily. A recent trend leans heavy on the unique properties that aromatic fluorine and bromine bring—metabolic stability, lipophilicity, signaling in ^19F NMR. Ethyl 3-Bromo-4-Fluorobenzoate conveniently hands over these features in one tidy package.

    In agrochemical projects, this ester opens routes to fluorinated phenyl rings, which improve persistence and selectivity in field trials. Some specialty polymers need this “push-pull” aromatic character, building blocks stable enough to survive outdoor use yet reactive for further modification. Even in dye chemistry, this intermediate has its fans; subtle changes from adding fluorine or bromine can shift color, boost affinity for fabrics, or stabilize lightfastness.

    Electronic materials research often circles back to compounds like this when designing new dielectrics or semiconducting films. The mixed halogens serve as stepping stones for crafting molecules that don’t just conduct, but also withstand heat and light. I’ve been part of teams that incorporate benzoate esters to adjust refractive index or electron mobility, and the hands-on flexibility never fails to impress.

    Sustainability and Workflow

    Sourcing lab chemicals always raises the question of environmental footprint. While halogenated intermediates get flagged in green chemistry discussions, their strategic use—like that of Ethyl 3-Bromo-4-Fluorobenzoate—lets research teams reach targets with fewer side products. Shorter, more targeted reaction pathways mean less energy and solvent use. Responsible teams recover and neutralize their waste, squeezing out every molecule’s full potential.

    Colleagues in process chemistry bring up atom economy and step-reduction as core goals. This ester’s reactivity helps in both. By using it as a multi-functional handle, researchers trim down the total number of isolation steps and purification runs. That shift from brute-force to precision chemistry feels like progress, not only for cleaner production but also for innovation itself.

    Quality, Storage, and Practical Details

    Storage advice rarely changes: cool, dry, sealed against the air. I keep a small stock for ongoing projects, noticing that well-capped containers maintain integrity for months. It never clogs the bench or lingers awkwardly on the shelf, thanks to steady demand in both routine and exploratory runs. Stability remains solid under standard refrigeration—straightforward inventory turns into productive chemistry without the mothball effect.

    Clear labelling makes a difference, especially in shared environments. Ethyl 3-Bromo-4-Fluorobenzoate stashes away in the organics drawer, free from unusual hazards. As always, safety means reading the current MSDS and following local protocols, but it rarely hogs the spotlight for risk.

    The Difference Experience Makes

    Sitting across from new hires, I always tell them: not all benzoate esters perform the same. Years running reactions have shown how dual-substituted rings like this one cut through complexity. Watching a project colleague swap a different ester for this one and suddenly solve a solubility issue or reaction stall brings home the real-world importance of getting the starting material right.

    People get excited about “designer” molecules—blockbuster drugs, specialty coatings—but a lot of that begins with choosing smart intermediates. The marketplace floods with options, but most quickly fade beside compounds offering versatility and consistency. That’s Ethyl 3-Bromo-4-Fluorobenzoate’s story: it keeps showing up wherever teams aim for something new.

    Improving the Research Process

    Academic labs and industrial companies face pressure to work faster, waste less, and deliver cleaner data. The right starting material supports all three. This ester, in hands that know what they’re aiming for, lets chemists move from idea to product with fewer delays. Missteps wasted on inferior materials don’t just cost money—they eat up motivation.

    A good example comes from a series of chlorinated biphenyl syntheses I tracked. Researchers swapped out a basic benzoate for Ethyl 3-Bromo-4-Fluorobenzoate to take advantage of its broader reactivity. The switch shortened workflow, improved overall yield, and made purification less of a headache. The workflow changes rippled out, enabling other colleagues to finish projects ahead of schedule.

    What Sets This Compound Apart

    Plenty of intermediates out there fill a niche, but few offer as much flexibility as this ester. Its dual-halogen architecture lets chemists plan divergent syntheses: install one substituent, then reuse the ring for something else. This trait saves time, money, and supplies—a key advantage under the increasing scrutiny for efficiency and tight budgets.

    The para-fluoro group does more than just shift reactivity. It boosts electron density in just the right places, letting chemists tune selectivity or even alter physical properties, like melting point or solubility, with only minor downstream changes. Bromine’s heft and chemistry make it a gateway for introducing other complex groups. This sort of chemical “springboard” isn’t just convenient—it actually becomes the backbone of new discoveries.

    Supporting Reliable Science

    Big claims in chemistry demand reproducible, transparent results. Products like Ethyl 3-Bromo-4-Fluorobenzoate supply the raw material for that reliability. Consistency in batch-to-batch purity, structure confirmation by spectroscopy, and predictable behavior matter to everyone from grad students to development leads. Having been both, I know firsthand the relief that comes from reagents that work right every time.

    Open data from reliable suppliers, such as NMR, IR, GC, and LC/MS profiles, allows scientists to match their sample’s fingerprints against robust standards. This builds trust, and lets work in one part of the world bolster results seen elsewhere. Research becomes more connected—less time dissecting side reactions or contaminants, more time pushing the boundaries.

    Challenges and Potential Solutions

    Demand for halogenated intermediates isn’t going anywhere, but manufacturers and researchers face challenges tied to sustainability and human health. Handling and disposal of halogenated compounds receive ever-increasing regulatory scrutiny, for good reason. Research groups must not only manage waste streams responsibly, but also seek greener alternatives where possible.

    One move involves more efficient use: running reactions with the minimum necessary excess, recovering solvents, or reusing reaction residues when practical. Emerging greener protocols let chemists use milder conditions, which cut down on side-products or hazardous waste. Investment in on-site waste neutralization or expanded recycling—though expensive up front—pays back with safer working environments and public trust.

    Professional societies and suppliers can help by sharing best practices on waste management, and by marking clearly which intermediates come from more responsible production processes. Digital inventory tracking supports safer storage and fewer lost bottles, reducing the chance for accidental spills or uncontrolled exposures.

    Looking Ahead: The Role of Smart Chemicals

    There’s no sign that innovation in organic synthesis will slow down. Compounds like Ethyl 3-Bromo-4-Fluorobenzoate, with their built-in flexibility and robust performance, will keep playing a role. Teams that harness its strengths—structural tunability, dependable reactivity, solid safety profile—will wind up ahead, with less waste and more results to show for their effort.

    Companies may invest further to make halogenated intermediates with a lighter environmental impact, applying greener manufacturing or improved handling protocols. I’ve seen firsthand how a little extra care in material choice, informed by clear information and solid science, leads to fewer headaches and more pride in the work.

    In Summary: Why Ethyl 3-Bromo-4-Fluorobenzoate Matters

    Chemistry doesn’t happen in a vacuum. Every new molecule, process, or product draws on the invisible infrastructure of smart reagents and tested intermediates. Ethyl 3-Bromo-4-Fluorobenzoate supports this infrastructure by enabling cross-coupling, branching synthetic pathways, and supporting rigorous science. It’s more than a line in a catalog—it represents thoughtful design and steady results, whether in a university lab or industrial plant.

    Plenty of shiny new molecules steal the headlines, but repeated successes often depend on choices made much earlier in the process. Pick a reagent that works—with a proven track record, trusted quality, and versatile chemistry under its belt—and the rest of the workflow feels just a bit less uphill. Ethyl 3-Bromo-4-Fluorobenzoate delivers that reliability, day in and day out. In my own experience, it’s an asset worth its catalog number, offering clear payoff through easier syntheses, better yields, and fewer surprises.