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Propargyl Benzenesulfonate

    • Product Name Propargyl Benzenesulfonate
    • Alias Benzenesulfonic acid, propargyl ester
    • Einecs 695-669-9
    • 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
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    Specifications

    HS Code

    685896

    Chemical Name Propargyl Benzenesulfonate
    Cas Number 121780-15-6
    Molecular Formula C9H8O3S
    Molecular Weight 196.22 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 285-287°C
    Density 1.22 g/cm³
    Solubility Slightly soluble in water; soluble in organic solvents
    Purity Typically ≥97%
    Smiles C#CCOS(=O)(=O)C1=CC=CC=C1
    Refractive Index 1.562
    Storage Conditions Store at 2-8°C, protected from light and moisture

    As an accredited Propargyl Benzenesulfonate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Propargyl Benzenesulfonate, 25g, supplied in a sealed amber glass bottle with tamper-evident cap, labeled with safety and handling information.
    Shipping Propargyl Benzenesulfonate should be shipped in secure, tightly sealed containers, protected from moisture, heat, and direct sunlight. Classify and package according to relevant hazardous material regulations. Use appropriate labeling to indicate flammability and irritant risks. Ensure compliance with local, national, and international transportation guidelines for hazardous chemicals.
    Storage Propargyl Benzenesulfonate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from sources of ignition, heat, and incompatible materials such as strong bases and oxidizers. Protect from moisture and direct sunlight. Use appropriate chemical storage cabinets, and ensure proper labeling. Personal protective equipment should be worn when handling the chemical.
    Application of Propargyl Benzenesulfonate

    Applications of Propargyl Benzenesulfonate in Industrial Manufacturing

    Propargyl Benzenesulfonate serves as a specialized alkylating agent and functional intermediate in several advanced manufacturing sectors. We control every synthesis, purification, and quality checkpoint at source, ensuring the material matches the technical expectations of global formulators. Below are its main industrial downstream applications supported by verified usage and compliance references.

    1. Active Pharmaceutical Ingredient (API) Synthesis

    Pharmaceutical companies apply this raw material during the synthesis of propargyl-functionalized small molecules, especially in the design of CNS-targeting APIs and enzyme inhibitors. Propargyl Benzenesulfonate introduces alkynyl groups for click chemistry or late-stage diversification steps within GMP-controlled production trains. Handling occurs under closed-system, batchwise or semi-continuous conditions to control reactivity. Final drug substances must achieve full removal of residual intermediates according to pharmacopoeial thresholds for process impurities.

    Industry compliance standards

    • ICH Q7 – GMP for Active Pharmaceutical Ingredients
    • USP/NF — United States Pharmacopeia standards for chemical purity
    • EU GMP Part II — Basic requirements for active substances
    • FDA 21 CFR Part 211 — Finished pharmaceutical regulations

    Typical usage ratio

    • 0.5% to 3% molar equivalent per coupling step; adjusted by target API structure and desired alkynylation degree.

    Downstream process integration

    • Charged as an alkylating intermediate post-core assembly; effective for late-stage diversification and side chain introduction through SN2 mechanisms.

    Final product types

    • Alkynylated small molecule drug substances
    • Propargyl-functionalized prodrugs
    • Custom pharmaceutical intermediates for contract development
    • Click chemistry API precursors

    2. Specialty Polymer Modification

    Polymer manufacturers use this compound to introduce alkynyl pendant groups onto PVC, polystyrene, or acrylic backbones, enabling further click crosslinking, surface functionalization, or photo-patternable resins for microelectronics and adhesives. The product is dosed into the polymer melt or solution under inert conditions, often with specific catalysts facilitating grafting without backbone degradation.

    Industry compliance standards

    • ISO 9001 — Quality management systems
    • RoHS (EU 2011/65/EU) — Restriction of Hazardous Substances in electronics
    • REACH — EU Registration, Evaluation, Authorization and Restriction of Chemicals
    • UL 94 — Flammability rating in plastics, where applicable

    Typical usage ratio

    • 0.1% to 2% weight on polymer, determined by target degree of functionalization and resin architecture.

    Downstream process integration

    • Added during polymer melt blending or solution-phase post-polymerization modification, in the presence of selected radical or nucleophilic catalysts, prior to extrusion or casting.

    Final product types

    • Photoresist resins for printed circuit boards
    • Functional polymer coatings
    • Adhesive compositions
    • Electronically modifiable resin platforms

    3. Agrochemical Intermediate Production

    Crop protection formulators leverage this raw material to construct propargyl-containing herbicide and fungicide scaffolds, which gain resistance-enhancing and bioavailability features. Sulfonate leaving group promotes efficient alkylation of heterocycles in fine chemical routes under strictly monitored reaction controls. Closed-system delivery at regulated temperatures manages exposure risk in line with agrochemical safety audits and threshold limit values.

    Industry compliance standards

    • FAO/WHO Specifications and Evaluations for Agricultural Pesticides
    • ISO 17025 — Testing and calibration laboratories
    • EU Regulation EC 1107/2009 — Plant protection products
    • GLP — OECD Principles of Good Laboratory Practice

    Typical usage ratio

    • 1.0% to 5.0% molar equivalent in final coupling reaction; actual ratio varies by synthetic route and active structure specificity.

    Downstream process integration

    • Applied during core skeleton assembly or late-stage alkylation of aromatic or heterocyclic frameworks in synthetic crop protection manufacturing lines.

    Final product types

    • Propargyl-substituted herbicide active substances
    • Fungicidal intermediates for further derivatization
    • Seed treatment agent precursors
    • Agrochemical R&D compound stocks

    4. Fine Chemical and Performance Additive Synthesis

    Producers within fine chemical and material additive sectors deploy this compound for building block alkynylation in the custom synthesis of fragrance fixatives, lubricant additives, and UV absorber frameworks. It reacts under defined conditions, where operator control of stoichiometry and reaction rate ensure the desired product profile without byproduct contamination. Each batch passes release checks against agreed technical specifications before dispatch to integration partners.

    Industry compliance standards

    • ISO 9001 – Quality management for chemical manufacture
    • GHS (UN Globally Harmonized System) for chemical labeling and safety
    • EU REACH — Chemical registration and safe handling requirements
    • IFRA Standards — Where applicable to fragrance ingredient traceability

    Typical usage ratio

    • 0.2% to 2.5% weight; tuned by desired alkynylation degree and dose response in specialty additive formulations.

    Downstream process integration

    • Enters as alkynyl donor in custom blend reactors; used before quenching and fractionation into individual performance additives or modifiers.

    Final product types

    • Fragrance intermediate compounds
    • Lubricant additive molecules
    • UV-stabilizer building blocks
    • High-performance specialty materials
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    Certification & Compliance
    More Introduction

    Propargyl Benzenesulfonate: A Proven Specialty Intermediate

    Building Specialty Chemistry With Propargyl Benzenesulfonate

    After decades of producing challenging organic compounds, our team has developed a deep appreciation for molecules that stand up to modern applications. Propargyl Benzenesulfonate has earned its place in our catalog not only for its clear utility but also for its distinctive chemistry. We have seen it requested across small pilot projects and large-scale campaigns due to the performance it delivers in synthesis.

    What distinguishes Propargyl Benzenesulfonate isn’t just its sulfonate ester structure, but the combination of the reactive propargyl group with a stable benzenesulfonate leaving group. The structural formula, C9H8O3S, brings together reactivity and utility. Chemists come back to it repeatedly because it makes certain coupling and functionalization steps far more manageable. Its melting point and purity tie directly into the demands for reliable downstream transformations, especially when working in pharmaceuticals, materials, or fine chemicals sectors where reproducibility matters.

    Tangible Differences in Performance and Handling

    A lot of users notice the clear improvements this compound brings over more common alkyl or aryl sulfonates. The propargyl group introduces a triple bond, giving unique entry points to further modifications through established click chemistry or Sonogashira couplings. This opens doors for functional diversity and more advanced molecular design. Sulfonates often get pigeonholed as general-purpose leaving groups, but this one stands out because it pairs the benzenesulfonate’s stability with the highly tunable propargyl functionality.

    From our operation floor, the batch-to-batch handling provides another clear difference. Many intermediates, especially with alkynes, tend to suffer from polymerization or volatility. We’ve tuned our process to maintain stability, minimizing decomposition during standard storage and transportation. It doesn’t emit strong odors, nor does it display the rampant discoloration sometimes seen with other reactive esters. That stability is key for long-running synthesis routes that need consistent, dependable intermediates.

    Looking at analogs, propargyl mesylates and tosylates offer slightly different reactivity profiles. Benzenesulfonate-based propargyl esters stand out because of their balance of leaving group ability and handling safety. While a methylsulfonate can deliver slightly higher reactivity, it often poses greater hazard and less temperature tolerance. Our colleagues in scale-up notice the difference during crystallization and filtration; yields stay consistent even on multi-kilogram scale, unlike some alternatives that suffer variable losses or caking.

    Applications Gaining Traction

    In our direct experience, Propargyl Benzenesulfonate finds its strongest demand as a building block for specialty pharmaceuticals and advanced materials. For example, researchers incorporate the propargyl group into small-molecule drugs, then use click chemistry to attach labels, transporters, or solubilizing arms. Polymer scientists use it to graft functional alkynes onto backbone chains, yielding unique mechanical and electronic properties.

    We’ve fielded requests ranging from the synthesis of enzyme inhibitors to the design of stimuli-responsive coatings. Its strongest appeal comes from its compatibility with copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. Chemists keep returning to it for azide click reactions because the benzenesulfonate group leaves with predictable speed, providing cleaner product mixtures and reducing waste streams.

    Scale-up clients, especially in contract manufacturing, routinely ask for lot-specific documentation around water content and residual inorganic salts. Our experience has shown that tight control over washing and drying steps ensures better storage stability, and minimizes lot-to-lot deviation. Having refined our processes, it’s now normal practice for us to supply properly dried, homogenous product, consistent with low moisture levels.

    Process Experience and Consistency

    Chemical manufacturing never tolerates surprises. In synthesis, especially where propargyl functionality is required, reproducibility is vital. We have refined the isolation and purification process to ensure the desired crystal morphology—important for larger volume users who need predictable solubility and minimal fines during processing.

    From the standpoint of shipping and storage, Propargyl Benzenesulfonate doesn’t impose unusual demands. Compared to related active intermediates, fewer compatibility concerns arise with most standard packaging materials, including HDPE and glass. With each shipment, product evaluation goes well beyond a basic melting point check. We run NMR and HPLC purity assays on every batch, confirming the absence of common degradation markers or side-products such as diol residues, which sometimes slip past with less controlled syntheses.

    Handling on the line, we hear from seasoned operators that the powder flows well and resists clumping, avoiding many of the transfer headaches associated with alternative sulfonates or propargyl halides. Less dust means increased safety and less mess—small things, but they add up on a busy plant floor. Operations aren’t bogged down with expensive controls or excessive PPE, because we tune production to keep impurity levels, especially residual acids and by-products, at consistently low levels.

    Real-World User Feedback

    Many researchers come to us after struggling with less stable or less pure propargyl intermediates from other sources. Their pain points often boil down to inconsistent reaction profiles or problems with excessive decomposition. Over several years, we have gathered feedback from users running both bench chemistry and pilot-scale campaigns, and our records show dramatically higher reaction yields and cleaner conversion profiles with our Propargyl Benzenesulfonate.

    Our partnerships with pharmaceutical chemists give us a window into how subtle shifts in intermediate quality change project timelines. For example, users running multi-step syntheses benefit from intermediate stability. Lower product loss equates to higher yields at each stage, less need for rework, and less frustration for busy chemists. Nobody enjoys tracking down sources of inconsistent reactivity or failed coupling reactions, and we avoid that by maintaining top purity and stability in each lot sent out the door.

    Industry Trends and the Shift Toward Reliable Alkynylation

    As the chemical industry pursues ever more complex end-products, the demand for versatile alkynylation strategies continues to grow. Our customers need reagents that provide clean, reliable installation of propargyl (alkyne) groups on a variety of substrates, ranging from aromatic compounds to peptides. Propargyl Benzenesulfonate makes this attainable for both large- and small-scale synthesis.

    In many fine chemicals applications, concerns about heavy metals and waste have compelled chemists to favor reactions that proceed under milder, less waste-intensive conditions. Propargyl Benzenesulfonate proves attractive in these settings due to its compatibility with benign solvents and its tendency to generate benign leaving products, such as benign benzenesulfonic acid derivatives, which are easily separated.

    The traditional use of propargyl halides had raised flags about volatility, off-gassing, and environmental aggressiveness. Shifting to a sulfonate ester lets users simplify their handling protocols. We’ve seen a steady move away from old standards toward intermediates like Propargyl Benzenesulfonate, offering cleaner profiles and comparable reactivity.

    What Sets Our Material Apart

    New customers often ask how our Propargyl Benzenesulfonate differs from competitor offerings. Based on years at the bench and feedback from our clients, three attributes stand out: purity, batch traceability, and lot stability. Each batch undergoes thorough characterization, not just at the crude or post-crystallization stage, but after each step of washing, drying, and packaging. It’s not just a checklist exercise—our QC team continuously reviews performance data and adjusts parameters if we spot even minor deviations.

    We also engage directly with key accounts to review how our product interacts with their specific catalyst systems or process solvents. If any differences in performance emerge, we investigate and, if appropriate, adjust the batch recipe or purification sequence. This flexibility is a direct result of maintaining tight control over our in-house process, and it shows through in lower impurity levels and minimal batch variability. Smaller producers often outsource large parts of production or quality analysis, leading to gaps in consistency. By keeping every stage under our roof, we cut out the risk of miscommunication or missed details.

    Another area that draws repeated comment is the ease of re-dissolution. Some alternative propargyl sulfonates either refuse to dissolve fully or leave stubborn particulate behind, threatening reaction reproducibility. Ours dissolves smoothly in a variety of organic media, including DMF, DMSO, and acetonitrile, with minimal residue. On a synthetic scale, these technicalities matter—not just in theory but in everyday practice where every yield point and every hour on a reactor counts.

    Safety and Regulatory Awareness

    Propargyl Benzenesulfonate naturally falls under the same prudent handling guidelines as other sulfonate esters and alkynes, though our customers are quick to note its relative mildness compared to alternative halides or more reactive esters. Our site employs strict personal protective equipment and handling protocols, and we share best practices openly with our partners. Having handled countless kilograms over the years, we’re intimately familiar with the failure modes and have engineered production to sidestep the common pitfalls.

    Our analytical support team documents and tracks any unusual analytical results, so we stay well ahead of changing regulatory or compliance landscapes. We avoid persistent organic pollutants in auxiliary materials or solvents, and we log the full traceability on every ingredient and batch. When clients prepare for export or in-licensing of finished products, our documentation and transparent recordkeeping simplify their regulatory applications.

    Optimizing for Modern Synthesis Demands

    Where once propargyl intermediates played a niche role, they’ve now become essential to diversified chemical portfolios. The rise in demand for bioconjugation chemistry, advanced surface coatings, and specialty materials has shifted our manufacturing focus. We recognize that not all versions of a compound serve every application equally well. Our scale-up team has invested time confirming that Propargyl Benzenesulfonate supports the wide application spectrum demanded by our customers without sacrificing stability, purity, or ease of use.

    Customers in peptide and oligonucleotide coupling routinely highlight the clean conversion they see using our material—a welcome change from the unpredictable reactivity and fouling encountered with lesser intermediates. Many protocols benefit directly from the predictable fragmentation and minimal by-product formation, cutting down on workup and purification steps. Several process chemists have let us know that the benzenesulfonate group performs better in their hands than alternatives, especially when target molecules require post-synthetic labeling through alkynes.

    Supporting Your Chemistry With Proven Experience

    Our track record producing Propargyl Benzenesulfonate stands on established routines and the hard lessons that come from years meeting diverse customer needs. We don’t just ship molecules; we support synthetic projects from early research to full production. Every call for help, every shared purification challenge, adds to the way we refine and improve our batches. We’ve built solid relationships across pharma, agrochemical, polymer, and electronics industries because we recognize that chemistry doesn't leave room for improvisation.

    In chemical manufacturing, knowledge isn’t theoretical. Every time a scale-up has gone off script, or a reaction failed to deliver, those moments shaped how we run ours. By keeping Propargyl Benzenesulfonate at the highest purity and consistency, we deliver more than a reagent—we deliver confidence at each step. Chemists count on our batches to perform identically whether they order a few hundred grams or dozens of kilos, and we maintain this standard because our process, and our pride as chemical manufacturers, demand it.

    Reflections and Looking Forward

    We’ve witnessed the shift from older, less reliable intermediates to more versatile, higher quality options. Propargyl Benzenesulfonate started out as a niche request, but it’s now central to a range of high-value syntheses. Looking back at conversations with clients who once struggled with poorly characterized intermediates, we see tangible improvements in their project outcomes—and that’s the result we care about.

    Each liter of solvent saved, each hour of batch time reduced, boils down to the quality of every intermediate upstream. That’s where Propargyl Benzenesulfonate makes its mark. It has earned trust across the spectrum of chemical research, scale-up, and full production. We keep producing it because we know what goes into making chemistry successful on the bench, in the plant, and beyond. Years of hands-on work have convinced us that details matter—details that set our production apart, and that we never overlook in our business.