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(Phenylsulfonyl)Acetonitrile

    • Product Name (Phenylsulfonyl)Acetonitrile
    • Alias Benzeneacetonitrile, alpha-oxo-, phenylsulfonyl-
    • Einecs 219-334-0
    • 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

    226037

    Productname (Phenylsulfonyl)acetonitrile
    Casnumber 3398-55-6
    Molecularformula C8H7NO2S
    Molecularweight 181.21
    Appearance White to off-white crystalline powder
    Meltingpoint 92-95°C
    Density 1.32 g/cm3 (estimated)
    Solubility Slightly soluble in water, soluble in organic solvents (e.g., ethanol, DMSO)
    Smiles C1=CC=C(C=C1)S(=O)(=O)CC#N
    Inchi InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
    Storageconditions Store at 2-8°C, in a tightly closed container
    Synonyms 2-(Phenylsulfonyl)acetonitrile; Benzylsulfonylacetonitrile

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

    Packing & Storage
    Packing (Phenylsulfonyl)acetonitrile, 25g, is supplied in a tightly sealed amber glass bottle with hazard labeling and tamper-evident cap.
    Shipping (Phenylsulfonyl)acetonitrile is typically shipped in tightly sealed containers under ambient conditions. It should be protected from moisture and incompatible substances during transport. Proper labeling and documentation in compliance with chemical shipping regulations are required. Handle with care, using appropriate safety measures to avoid spills or exposure during handling and transit.
    Storage (Phenylsulfonyl)acetonitrile should be stored in a tightly sealed container, away from moisture and incompatible substances such as strong oxidizing agents. Keep it in a cool, dry, and well-ventilated area, preferably in a chemical storage cabinet. Protect from sources of ignition, direct sunlight, and excessive heat. Always clearly label the container and follow local regulations for hazardous chemical storage.
    Application of (Phenylsulfonyl)Acetonitrile

    Applications of (Phenylsulfonyl)Acetonitrile in Industrial Manufacturing

    (Phenylsulfonyl)acetonitrile has established value in several fine chemical and pharmaceutical synthesis pipelines. As a raw material manufacturer, we supply this compound to downstream partners in differentiated applications with strict adherence to international standards for regulatory, technical, and commercial success.

    1. Pharmaceutical Intermediate for Pyrimidine and Heterocycle Synthesis

    Our material supports high-purity synthesis of complex Pyrimidine, Pyridine, Thiazole, and related heterocyclic compounds critical for active pharmaceutical ingredient (API) production. Customers employ it during nucleophilic substitution, alkylation, and cyclization steps, facilitating unique functional group installations not feasible with alternative reagents. Stringent spectral and impurity control ensures consistent input for multi-step medicinal chemistry innovation.

    Industry compliance standards

    • ICH Q7 GMP for API intermediates
    • USP <941> Spectroscopic Identification
    • Ph. Eur 5.1.3 for genotoxic impurities
    • REACH Annex VII for intermediate use registration

    Typical usage ratio

    • 1.1–2.3 molar equivalents per coupling or ring-closure step, adjusted by targeted substitution pattern or reaction yield

    Downstream process integration

    • Dosed after solvent charging and base addition, preceding introduction of nucleophile or condensation partner
    • Used during controlled temperature hold (typically 10–35°C) for sensitive transformations
    • Integrated in batch or semi-continuous flow reactors for medicinal chemistry scale-up
    • Enables late-stage diversification in multistep API synthesis

    Final product types

    • Small-molecule APIs for antivirals, oncology, CNS therapeutics
    • Pharmaceutical building blocks marketed to CRO/CDMO partners
    • Research analytical standards
    • High-purity clinical trial materials

    2. Agrochemical Synthesis—Herbicide Precursor Manufacturing

    Agrochemical producers select our material for synthesis of sulfonylurea, triazine, and other nitrogen-heterocycle based herbicides. The compound’s cyanomethyl sulfone motif introduces high reactivity in key C–N bond-forming reactions. Granular particle control and purity suit large-scale herbicidal synthesis, minimizing downstream contamination risks and ensuring compliance with crop safety requirements.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for raw input traceability
    • Regulation (EC) 1107/2009 for Plant Protection Products
    • FAO/WHO Specifications for Pesticide Technical Material
    • Global GAP traceability guidance

    Typical usage ratio

    • 5–12% by weight of total heterocycle coupling mass, varying by targeted herbicide class and process route

    Downstream process integration

    • Added to continuous stirred-tank reactors after solvent and catalyst set-up
    • Frequently follows methyl/ethylation or sulfonation stages
    • Introduced in heated nitrile-alkylation processes (50–90°C)
    • Monitored for complete conversion via in-line HPLC or GC

    Final product types

    • Post-emergent and pre-emergent herbicide technical concentrates
    • Sulfonylurea herbicide intermediates exported to formulating partners
    • Bulk formulated granules and liquids for agricultural use
    • Stored reference analytics for formulation validation

    3. Specialty Dye and Pigment Intermediate for Electronic Materials

    Electronics material producers employ our compound in synthesis of specialized sulfonated dyes and pigment intermediates, particularly for LCD, OLED, and inkjet technologies. Its phenylsulfonyl group activates arylation and diazo-coupling reactions, supporting high-intensity, stable colorant molecules that resist photobleaching and maintain performance in display and printing operations.

    Industry compliance standards

    • RoHS 2011/65/EU for hazardous substance limits in electronics
    • ISO 9001:2015 and ISO 14001:2015 for pigment batch traceability
    • EN 71-3 for pigment use in consumer display hardware
    • IEC 62474 chemical declaration requirements

    Typical usage ratio

    • 2.5–8% of total pigment precursor mix, optimized for required chroma and lightfastness

    Downstream process integration

    • Introduced at pre-diazotization or alkylation stages in closed-flow reactors
    • Processed in presence of transition-metal catalysts for electronic pigment fine-tuning
    • Integrated with custom dispersants and solvents based on specific device or ink requirements
    • Purified through chromatographic or membrane filtration before downstream blending

    Final product types

    • High-color fastness dyes for OLED and LCD displays
    • Digital inkjet printer ink concentrates
    • Photoresist additives for semiconductor manufacturing
    • Functional pigments for optoelectronic circuits

    4. Fine Chemical Intermediate in Chiral Auxiliary and Ligand Synthesis

    Chemical synthesis specialists leverage our product for creating chiral auxiliaries and organometallic ligand platforms. (Phenylsulfonyl)acetonitrile undergoes stereoselective modifications enabling asymmetric catalysis design for advanced materials and pharmaceutical APIs. We ensure lot-specific enantiomeric purity and physical characterization aligned to process adaptation in high-performance ligand manufacturing operations.

    Industry compliance standards

    • ISO 9001:2015 and GMP Part II for chiral fine chemical intermediates
    • USP <476> for organic process impurities
    • REACH registration for specialty synthons usage
    • Ph. Eur monograph guidance on organic synthesis reagents

    Typical usage ratio

    • 0.8–3 molar equivalents per asymmetric induction or ligand construction segment, individually adjusted for stage conversion and substrate reactivity

    Downstream process integration

    • Added after activation of chiral scaffold or metal salt chelation
    • Participates in multi-step processes, positioned before final crystallization or resolution
    • Employed in organometallic or biocatalytic vessel systems with live process analytics
    • Verified via chiral HPLC for enantioselectivity assurance

    Final product types

    • Chiral auxiliaries for asymmetric alkylation or cyclopropanation
    • Phosphine and sulfonamide ligands for homogeneous catalysis
    • Building block materials for research-scale catalyst design
    • Intermediates for specialty fine chemical outsourcing
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    Certification & Compliance
    More Introduction

    (Phenylsulfonyl)Acetonitrile: From Raw Material to Enabler of Synthetic Innovation

    Our Commitment to Reliable Chemistry

    Working daily at the forefront of specialty intermediates manufacturing, we see firsthand what it takes to deliver fine organic compounds like (Phenylsulfonyl)acetonitrile with consistency and quality. Our team focuses on the small details—purity, particle size, residual moisture—not just for compliance, but because in practical laboratory and production settings, these factors determine whether a synthesis runs smoothly or stalls. Trust grows when customers know they can rely on uniform performance, shipment after shipment, and that’s the standard we uphold with every kilogram leaving our facility.

    The Value of (Phenylsulfonyl)Acetonitrile in Synthetic Routes

    (Phenylsulfonyl)acetonitrile is not a household name outside of organic chemistry circles. In the realm of synthetic chemistry, though, it serves as a robust and versatile nitrile building block. The structure itself— a phenylsulfonyl group bonded to an acetonitrile moiety— opens numerous opportunities for constructing carbon–carbon and carbon–heteroatom bonds through nucleophilic substitution, Michael-type additions, and alkylation reactions.

    Chemists come to us for this molecule because it stands up to rigorous workflows in pharmaceutical research, crop protection discovery, and the assembly of high-value fine chemicals. Its active methylene position, flanked by strong electron-withdrawing sulfonyl and nitrile groups, brings controlled reactivity that’s tough to replicate with cheaper or more common nitriles. This unlocks routes to α-functionalized derivatives, which underpin many advanced intermediates.

    From Bench to Kilo-Scale: Manufacturing Focus and Purity

    We synthesize (Phenylsulfonyl)acetonitrile in-house, scaling from gram to multi-ton quantities without farming out work to shadowy third parties or relabeling drums from around the world. Each batch undergoes a staged purification process that removes byproducts from the key aromatic sulfonation and subsequent cyanomethylation. It’s easy to say “high purity,” but in practice, that reliability reflects careful solvent handling, crystallization, and drying controls—steps that show up in melt point, spectral fingerprint, and downstream performance.

    Researchers regularly highlight issues tied to color impurities, odor, or unstable reactivity in acetonitrile building blocks sourced from commodity vendors. By contrast, we maintain a consistent pale solid, free-flowing and easily weighed for milligram or larger additions in the reaction flask. Residual moisture sits well below 0.3%, preventing hydrolysis or unwanted acid formation in sensitive transformations. Trace metals and halide contaminants are kept low, as validated through regular instrument calibration and cross-lab consistency checks.

    Specification Realities: Not Just a Data Sheet

    Numbers don’t tell the full story. The chemical’s measured purity usually ranges between 98% and 99.5%, as confirmed by HPLC and NMR. We don’t cut corners by spiking purity through moisture loss or masking with colorants. Particle size distribution typically sits in the medium fine range; this supports even dissolution in polar or mixed solvents. Packing is another often-overlooked detail: airtight, moisture-resistant containers minimize degradation and shipping headaches, especially during humid months.

    Our quality system goes beyond occasional spot checks. Each drum or bottle receives a unique batch identifier, linked to detailed in-process controls and retained samples. We field regular queries from customers struggling with poor material from other sources— some encounter off-odors likely due to improper sulfonation workup, or sticky, clumped powder indicative of incomplete drying. These aren’t academic concerns; a failed reaction at kilo-scale often means thousands in lost time and materials.

    Smart Sourcing and Downstream Approval

    We know the regulatory burdens and internal controls required for pharmaceutical or agrochemical applications. For many research-intensive clients, documentation trails matter as much as the physical product. We supply full analytical data, including HPLC chromatograms and NMR spectra for customer review and qualification, and we can provide reprocessed material meeting tighter specifications for critical process steps.

    It’s common for contract manufacturers and discovery groups to use (Phenylsulfonyl)acetonitrile as a drop-in for older methods relying on less stable cyanide transfer agents. While the cost per kilogram exceeds basic acetonitrile or methyl cyanide, the net value appears in improved control over side reactions, cleaner final products, and downstream yield boosts—factors that matter when a project moves from proof-of-concept to pilot or production.

    The Role of (Phenylsulfonyl)Acetonitrile in Selectivity and Reactivity

    Chemistry is a trade built on reactivity balance; too aggressive a reagent can trigger side pathways, and too inert a substrate holds up throughput. In real-world protocols, (Phenylsulfonyl)acetonitrile often acts as a linchpin for introducing the nitrile group adjacent to an aryl sulfonyl moiety, which in turn can be manipulated through reductive removal, hydrolysis, or nucleophilic attack.

    Many researchers prefer this molecule over unsubstituted acetonitrile because the sulfonyl group markedly increases acidity of the methylene hydrogen atoms—making deprotonation faster and alkylation more controlled. In contrast, alternatives like benzyl cyanide or methyl cyanoacetate lack the same electron-pulling effect, leading to sluggish alkylations or poor regioselectivity. Moreover, the phenylsulfonyl fragment remains chemically robust through basic and acidic conditions, a trait that spares chemists from scrambling to adjust reaction parameters midway through their synthetic sequence.

    Practical Advantages in Lab and Plant Settings

    On the bench, ease of handling counts just as much as theoretical reactivity. (Phenylsulfonyl)acetonitrile comes as a solid, favoring exact weighing for scale-up or parallel chemistry. Liquid or low-melting nitriles like cyanoacetic acid esters often pose dosing errors or volatility hazards. Our customers appreciate the straightforward process of opening a pack, rescaling a reaction, and moving on without extra drying or purification work, saving labor and cutting risk.

    Production teams also report fewer headaches during work-up. Because our product displays low foaming and forms minimal emulsions, extractions and phase separations proceed cleanly. This contrasts with experience using lower-grade or poorly dried counterparts, which generate intractable emulsified layers or sticky residues. Waste stream simplification helps keep disposal costs in check.

    Comparison with Structural Analogues

    Clients sometimes consider alternatives for either price or structural flexibility. Compounds such as methylsulfonylacetonitrile offer weaker electron withdrawal, leading to slower or incomplete alkylation under identical base conditions. Benzyl cyanide is less acidic but more prone to side reactions under oxidative environments, complicating downstream isolations.

    We supply both the parent and certain substituted variants, offering insights from our own process development about how these analogues behave in real applications. Our experience leans in favor of the phenylsulfonyl core for demanding or scale-sensitive syntheses, especially where trace byproducts from incomplete eliminations can compromise purity or regulatory signoff of active intermediates.

    Working with customers, we’ve seen repeated cases where attempts to cut costs by using simpler nitriles led to extra purification steps and reduced yield—yields that rarely justify the initial material savings when labor, downtime, and analytical checks are factored in. From kilos to tons, the right building block does more than just check a box on a requirements list; it streamlines every subsequent step, especially in multi-step syntheses.

    Applications and Case Studies from the Field

    A large share of our output supplies pharmaceutical process chemists aiming to build up complex nitrogen-containing heterocycles or to introduce cyanomethyl functionality onto aromatic systems. One major project involved scale-up for a custom API precursor, employing (Phenylsulfonyl)acetonitrile as the key cyanide donor in an α-arylation, followed by selective desulfonylation. Early trials with alternative reagents led to isomeric mixtures or low conversion, echoing the reasons customers cite in returning to our product.

    Outside drug R&D, agroscience and fine chemical companies use our material to synthesize bioactive analogues for screening and optimization. In these settings, any unreliability or inconsistency delays projects—lost weeks tracking down a root cause for failed reactions due to residual solvents or trace metals in sub-par batches.

    Feedback from multiple clients highlights fewer purification headaches, cleaner NMR and LCMS profiles, and dependable performance across batches. Regular audits of our production lines by multinational customers reflect expectations not just for specification adherence, but for process transparency. They want to know not only what’s in the drum, but that we can reproduce it next time—core to the reliability science-driven businesses demand.

    Supply Chain Reality: Why Origin and Handling Matter

    Not every supplier brings the same experience or control. We routinely re-qualify raw material vendors and keep tight tabs on incoming aryl sulfonyl precursors. Turning out product on-spec time after time requires more than basic synthesis; it rests on experienced operators, rigorously applied SOPs, and constant investment in analytical capabilities.

    Experience tells us that shortcuts made upstream creep into final product results. If aryl sulfonation is rushed, colored byproducts persist into the final cake. If crystallization and drying lack patience, the end-user gets a sticky, less stable material. We take pride in never sending out material we wouldn’t run in our own pilot plant.

    Environmental and Occupational Health Aspects

    Handling sulfonyl and nitrile intermediates means working responsibly. Our facility manages process streams to minimize emissions, recapture waste solvents, and ensure operator safety through local exhaust and careful charging. While (Phenylsulfonyl)acetonitrile is not especially volatile or malodorous, safe chemical practice means antistatic awareness and protective gear in storage and transfer areas.

    We encourage responsible disposal and process stewardship in our own practice and among our customer base. Dispensing areas include spill collection and real-time monitoring, with all plant staff trained in incident response. Responsible management extends throughout product life, from raw ingredient to isolated byproduct, in keeping with our commitment to worker and environmental welfare.

    Continuous Improvement: Learning from Scale and Feedback

    Chemical manufacturing requires evolutionary progress. Our plant upgrades equipment and protocols on the basis of feedback—both yield data and practical lessons from customers running gram to ton-scale reactions. Recently, incremental cooling in crystallization led to fewer agglomerates, which improved dissolution rates in downstream alkylations.

    Close cooperation with end-users drives our process refinements. Testing various drying conditions and milling techniques improves flow and consistent dosing, contributing to real savings on our clients’ side. Periodically, we investigate minor impurities discovered during process upsets and report mitigation strategies directly to partner labs, building a two-way trust rare among intermediates producers.

    Looking Ahead: Supporting Scientific Progress

    Researchers and commercial process teams push for ever more complex molecules and challenging routes—whether the goal is a proprietary pharmacophore, new crop protection lead, or functionalized material. (Phenylsulfonyl)acetonitrile continues to feature in new patent filings and published protocols, with users exploiting its dual activation (sulfonyl and nitrile) to unlock transformations spanning direct alkylation to cyclization and regioselective additions.

    Predictable supply and a strong technical partnership matter more than ever. By handling each batch with care and learning from every inquiry or production anomaly, we help drive innovation forward, not just keep pace with it. The market does not reward lowest cost alone; it favors steady, real-world performance by well-characterized, dependable materials, batch after batch.

    In summary, we manufacture (Phenylsulfonyl)acetonitrile with attention to the details and reliability our customers expect at every stage. Our focus remains quality, accountability, and process insight, because these are the foundations supporting serious work in the lab and the plant alike.