|
HS Code |
703707 |
| Iupac Name | 1-ethynyl-2-fluorobenzene |
| Cas Number | 58861-48-6 |
| Molecular Formula | C8H5F |
| Molecular Weight | 120.12 |
| Appearance | Colorless to pale yellow liquid |
| Boiling Point | 187-189 °C |
| Density | 1.096 g/mL at 25 °C |
| Refractive Index | 1.546 |
| Flash Point | 64 °C |
| Smiles | C#CC1=CC=CC=C1F |
| Inchi | InChI=1S/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H |
As an accredited 1-Ethynyl-2-Fluorobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle, 25 mL, sealed with a plastic screw cap; labeled with hazard warnings, product name, and chemical information. |
| Shipping | 1-Ethynyl-2-Fluorobenzene is shipped in tightly sealed containers under inert atmosphere, typically at ambient temperature. It should be packed to prevent leaks or breakage and clearly labeled according to hazardous material transport regulations. Ensure compatibility with container materials and compliance with local, national, and international shipping guidelines for flammable organic chemicals. |
| Storage | **1-Ethynyl-2-fluorobenzene** should be stored in a cool, dry, and well-ventilated area, away from heat, ignition sources, and direct sunlight. Use tightly sealed containers made of materials compatible with organic chemicals. Keep separate from oxidizing agents and acids. Store under a nitrogen atmosphere if possible to prevent oxidation. Proper labeling and secondary containment are recommended to prevent spills and exposure. |
Applications of 1-Ethynyl-2-Fluorobenzene in Industrial Manufacturing1-Ethynyl-2-Fluorobenzene serves specialized functions in several advanced industrial production fields. The following sections introduce key downstream segments where our material enters into active synthesis routes, supporting the development of valuable end-use products. Each section details compliance requirements, industrial ratio guidelines, process integration specifics, and the actual types of finished goods produced. 1. Pharmaceutical Intermediates for Targeted Active Pharmaceutical Ingredients (APIs)This molecule delivers essential reactivity for the synthesis of certain fluorinated aromatic pharmaceuticals, especially where precise positional substitution is mandatory. Most deployment falls into advanced stage route-locked intermediates, notably in kinase inhibitors and specific CNS (central nervous system) drug candidates leveraging fluorine modulation. Our manufacturing partners employ strict traceability and integrate this material in multi-step syntheses to ensure impurity profiles remain within ICH Q3A guidelines. Industry compliance standards
Typical usage ratio
Downstream process integration
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2. Advanced Electronic Chemical Synthesis (OLED and Display Materials)Integrators in electronic and optoelectronic materials utilize this chemical for introducing strong π-conjugation and precise fluorinated structures in organic semiconductors. Especially relevant in blue and green emitter engineering for OLED display layers, where electron-withdrawing fluorine enables improved charge transport balance. The compound is strictly stored under inert and anhydrous conditions, with batch traceability certified to meet electronics-grade impurity controls. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
3. Agrochemical Intermediate Synthesis (Fluorinated Herbicides and Fungicides)This arylethynyl building block supports manufacturing of selected herbicidal and fungicidal actives, where fluorine confers greater metabolic stability and soil release predictability. Agrochemical clients deploy it within step-growth batch reactors, subject to comprehensive EHS (environment, health, and safety) review. All handling must satisfy both local and global chemical hazard management protocols. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
4. Custom Fluorinated Monomer Manufacturing for Specialty PolymersSome specialty polymer producers introduce this compound as a strategic comonomer or functional capping agent for high-value aromatic polyesters and polyarylenes. Presence of both ethynyl and fluoro substituents enables unique bonding and chemical resistance features in end-use resins. Plants implement strict raw material identity confirmation and per-batch impurity review, following certification schedules tailored to polymer application risk levels. Industry compliance standards
Typical usage ratio
Downstream process integration
Final product types
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In our production halls, every chemical comes with a history of precise planning and care. Among the aromatic intermediates, 1-Ethynyl-2-Fluorobenzene remains an unsung workhorse for a surprisingly broad range of chemical syntheses. As its producers, we handle its chemistry daily and understand firsthand how subtle changes in molecular structure shape downstream results in the lab or on the manufacturing line.
Running regular kilolab and multi-ton campaigns of 1-Ethynyl-2-Fluorobenzene, we see clear patterns in what our clients require. This compound—C8H5F with a molecular weight of 120.13—comes to us not as a generic commodity but as a target for reproducibility. Whether destined for research or commercial synthesis, purity dominates every batch we deliver. Our best lots consistently reach a purity above 98.0% by GC, with tightly controlled water and residual solvent thresholds.
The synthesis calls for careful selection and maintenance of equipment, oxygen exclusion procedures, and trace analysis after every distillation step. Over the years, we found that achieving low ppm halide and base impurities opens more doors for downstream application, reducing unexpected side reactions for scale-up users.
Chemists value 1-Ethynyl-2-Fluorobenzene for its direct participation in Sonogashira couplings and related transformations. During contract production runs, we noticed how well the fluorine atom activates the aryl ring, yet keeps the ethynyl moiety reactive for a series of new-bond-forming steps. Having a clean ortho-fluoro group means the product often delivers increased yields and less byproduct formation compared with simple 1-ethynylbenzene or multi-fluorinated analogues.
This molecule offers a unique fingerprint in NMR, GC-MS, and IR analysis. The triple bond gives a sharp signal that sets it apart from other alkynes lacking aromatic substitution. In high-throughput facilities, we often hear back from chemists who appreciate this reproducibility, especially when chasing complex targets for medicinal chemistry.
Each batch begins with exacting raw material inspection. The process may start with ortho-fluoroiodobenzene, undergoing a carefully optimized Sonogashira or similar cross-coupling. Batch process parameters—stirring speed, base selection, and temperature control—make a real difference to final product quality. These are not theoretical points. We have experienced how small deviations, if left unchecked, mean more downtime and reprocessing.
Our plant staff combines decades of experience with analytical backup—NMR, GC, and LC. Throughout production, we track not only total conversion but also look out for trace by-products. Benzofuran formation, hydrodefluorination, and polymerization byproducts prove the main risks; only trusted equipment and rigorous solvent drying routines keep them at bay.
Contamination concerns extend into storage and shipping, too. We have learned how light and air exposure during handling can degrade lots. Our solution: amber glass or coated steel, strictly inert atmosphere packaging, and secure seals for all shipped vials or drums. With these controls, end users rarely report on-specification drift even months after delivery.
From an application standpoint, the single ortho-fluoro substituent places this intermediate in a sweet spot. Multifluorinated alkynes, though available, bring higher cost and greater environmental handling challenges. Single-fluoro placement provides a balance between reactivity, cost, and downstream chemical flexibility.
Our plant processes both fluorinated and non-fluorinated alkynes with similar care, so we see real-world distinctions. The presence of fluorine at the ortho position increases the electron withdrawing character, influencing subsequent cross-coupling fate and stability under reaction conditions. In comparison, non-fluorinated 1-ethynylbenzene, though simpler and occasionally cheaper, fails to deliver the nuanced selectivity that pharmaceutical chemists or advanced material scientists often demand.
We work with custom analogues—like 1-ethynyl-3-fluorobenzene and their trifluorinated relatives—but most process development teams favor the 2-fluoro derivative for its reliability and broad compatibility. For scale-up, the cost-to-yield ratio and manageable waste streams edge out more heavily fluorinated choices.
Our longtime clients make use of 1-Ethynyl-2-Fluorobenzene in multiple sectors. Drug discovery pipelines rely on this compound for rapid access to fluorinated biaryls, often via palladium-catalyzed couplings. In agrochemical research, adding a fluoro group boosts target molecule stability and bioavailability, supporting longer field trials and improved dosing accuracy.
In materials science, aryl alkynes serve as popular handles for crosslinking and electronic material precursor assembly, especially for specialty polymers and advanced organic semiconductors. The fluoro group's presence introduces new electronic effects; polyelectrolyte or charge-transporting polymers built from this unit often outperform their non-fluorinated cousins. These effects become visible in real metrics like device efficiency or charge carrier mobility, verified by our clients’ analytical teams.
Several of our pharmaceutical clients choose this compound for isotopic labeling strategies, as the 2-fluoro group modulates position-specific reactivity and downstream labeling efficiency. Others integrate it into compact libraries of building blocks for combinatorial chemistry, guaranteed by our consistent batch homogeneity and certificate-backed purity data.
Large-scale handling of fluorinated chemicals draws justified regulatory scrutiny. In our manufacturing workflow, each solvent, waste stream, and emission is tracked not just by paper certificate, but by direct measurement. Our team invests in vapor recovery and liquid-phase neutralization. Waste that cannot be recycled in-house is sent for specialist destruction under full environmental compliance, minimizing PFAS legacy issues downstream.
We train working staff in local and international chemical safety standards, especially in transferring, bottling, and cleaning zones. Even minor spills, if not controlled, create risks—so routine checks and real-time monitoring alert us to issues well before batches finish. This attention to detail reflects in the near-zero frequency of environmental incident records over the last decade.
As a producer, we follow each batch from precursor sourcing to the hands of the scientist on the other end. Many users need fast, traceable, and compliant delivery. Logistical headaches can set research teams behind schedule, disrupt plant campaigns, or create surplus inventory risks. We work daily to minimize lead times, improve packaging stability, and coordinate with reputable carriers for temperature or light-sensitive shipments.
We respond directly to feedback from synthetic chemists. If a user encounters solidification or haze after months on the shelf, our team audits the sequence from batch manufacture to storage, identifying and correcting root causes. This feedback loop shapes incremental changes—from glass alternatives to improved seals and desiccant choices—ensuring the compound reaches every bench in the same state as it left our facility.
1-Ethynyl-2-Fluorobenzene behaves as a colorless to pale yellow liquid, with a characteristic aromatic odor. Our workers wear both standard PPE and extra organic-resistant gloves and eyewear, ensuring complete isolation from skin and inhalation exposure. The material flashes at low temperatures and carries standard handling risks common to aromatic alkynes, though we tune our safety barriers to match the volatility of a typical small-molecule intermediate.
Most scale users dilute prior to use, reducing volatility and controlling exotherm during coupling reactions. Based on our internal handling experience, the compound mixes without difficulty in common polar and nonpolar organic solvents.
We supply the product in quantities from grams to multi-kilo drums, protecting each lot with a pre-filled nitrogen atmosphere, and ship on cold packs if the client’s climate or route raises transport concerns. This approach preserves both chemical and aesthetic integrity even through prolonged transit.
Not every intermediate behaves as predicted. Periodically, researchers contacting us raise questions about downstream selectivity, purity interference, or workup challenges. Drawing on accumulated plant wisdom, we advise tweaks that matter: switching solvents, pre-saturating bases with moisture, or adjusting additive loads based on fluoride scavenging efficiency.
For example, synthetic chemists aiming for biaryl formation may encounter dehalogenation side products from palladium catalysis when certain lots of 1-Ethynyl-2-Fluorobenzene carry excess base residues. Our improved post-reaction neutralization steps reduce these residues without aggressive acid washes, meeting both reactivity and safety requirements for downstream use.
We regularly collaborate on scale-up trials, gathering feedback on catalyst performance, resin compatibility, and purification steps. Together, we troubleshoot inconsistent yields—from minor temperature discrepancies in coupling pots, to batch aging that subtly alters reactivity.
From our side of the market, 1-Ethynyl-2-Fluorobenzene stands not as a nameless input, but as a hard-earned synthesis product, shaped by the practical demands of discovery and production science. Regular client feedback shapes our priority on low impurity thresholds, recyclable packaging, and supportive logistics. We invest in continuous workflow training, building added value well beyond what traders or generalist distributors offer.
By listening to the laboratory and plant floor needs, and by holding ourselves accountable to measurable batch data, we support chemists seeking higher selectivity, cleaner product, and a straightforward ordering experience. We know the difference between a quick shipment of an intermediate and a partner vested in the outcome of complex synthesis—because we have stood on both sides of that story.
Our view on 1-Ethynyl-2-Fluorobenzene stretches beyond today’s lot orders or quarterly demand swings. We work alongside R&D teams who bring evolving requirements—call for even higher purities, novel isotope distributions, or green chemistry alternatives to legacy coupling protocols. As a true manufacturing team, we anticipate shifts in catalyst choices, solvent use, and sustainability targets.
We invest in greener approaches to cross-coupling and product capture, validating new ligand systems and solvent recovery steps in our scale facilities. Dialogue with industry partners reveals which properties matter most at each downstream application—color control, olfactory profile, or the influence of trace metals. Our analytical team regularly updates internal libraries and proficiency tests to keep data relevant and actionable for demanding users.
We believe that by solidifying supply reliability and technical transparency, we can help advance both basic research and manufacturing innovation. Years of experience in plant and pilot campaigns underpin each recommendation we make, whether refining reaction protocols, updating packaging guidelines, or co-designing new application trials.
Within our facility, each batch of 1-Ethynyl-2-Fluorobenzene represents a balance between cost control, high-quality output, and safety-first procedures. Our approach grows from deep experience with the compound itself, the hands-on details of production chemistry, and recurring client collaboration.
We value open, technical conversation, and a proactive approach to supply and quality challenges. From early inquiries to process troubleshooting and next-generation application development, our production and technical teams stand with partners at every step. The compound’s story continues to unfold with each synthesis campaign, informed by rigorous manufacturing know-how and the evolving standards of the global chemical research community.