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3-Acetylphenyl Isothiocyanate

    • Product Name 3-Acetylphenyl Isothiocyanate
    • Einecs 657-626-2
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry sales7@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    790951

    Chemical Name 3-Acetylphenyl Isothiocyanate
    Cas Number 16106-49-9
    Molecular Formula C9H7NOS
    Molecular Weight 177.22 g/mol
    Appearance Pale yellow solid
    Melting Point 66-68°C
    Boiling Point 346.1°C at 760 mmHg
    Density 1.231 g/cm³
    Solubility Slightly soluble in water; soluble in organic solvents
    Structure Isothiocyanate group attached at meta-position to acetyl group on benzene ring
    Smiles CC(=O)C1=CC(=CC=C1)N=C=S
    Inchi InChI=1S/C9H7NOS/c1-7(11)8-3-2-4-9(5-8)10-6-12/h2-5H,1H3

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

    Packing & Storage
    Packing Amber glass bottle, 25 grams, with tamper-evident screw cap, clear hazard labeling and chemical name: 3-Acetylphenyl Isothiocyanate.
    Shipping 3-Acetylphenyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture, heat, and direct sunlight. Proper labeling and documentation, including hazard identification, accompany the shipment. Transport follows regulations for hazardous chemicals and ensures no leakage or spillage. Appropriate safety measures and protective packaging are provided to safeguard handlers and the environment.
    Storage 3-Acetylphenyl Isothiocyanate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from direct sunlight, heat sources, and incompatible substances such as strong oxidizers. Keep it under inert atmosphere if possible and avoid moisture exposure. Clearly label the container, and restrict access to trained personnel. Always follow appropriate safety and handling procedures.
    Application of 3-Acetylphenyl Isothiocyanate

    Applications of 3-Acetylphenyl Isothiocyanate in Industrial Manufacturing

    3-Acetylphenyl Isothiocyanate serves as a high-purity chemical intermediate for the synthesis of advanced organic compounds in several downstream sectors. As an original manufacturer, we deliver consistent material quality to meet demanding application needs. Below, we detail real-world industrial scenarios, focusing on application integration, compliance frameworks, dosage rationale, and end product types where this raw material demonstrates both utility and regulatory alignment.

    1. Agrochemical Active Ingredient Synthesis

    Specialty agrochemical manufacturers employ 3-Acetylphenyl Isothiocyanate in the condensation steps to construct substituted thioureas and thiazoles, essential for selective herbicide and fungicide actives. Its defined reactivity toward amine and enolizable carbonyl structures under controlled alkylation and cyclization conditions makes it integral in fine-tuning the biological selectivity of new agrochemical agents.

    Industry compliance standards

    • FAO/WHO Specifications for Agricultural Pesticides
    • REACH (EC 1907/2006) for chemical registration in the EU
    • EPA FIFRA (40 CFR Part 180) tolerances for active ingredient synthesis in the USA
    • ISO 9001:2015 certified quality management systems for upstream intermediates

    Typical usage ratio

    • Reactant loading between 0.4 mol to 1.2 mol per mol of primary amine precursor; adjusted based on the desired substitution degree and reactivity of the specific precursor in multi-step syntheses.

    Downstream process integration

    • Coupling and cyclization stage during active ingredient molecular assembly, following initial protection/deprotection of functional groups and prior to crystallization and purification stages.

    Final product types

    • Crop protection actives including thiourea-based herbicides
    • Benzothiazole fungicidal intermediates
    • Pre-emergence weed control agents with tailored activity spectra

    2. Pharmaceutical Intermediate for API Development

    Innovator and generic drug manufacturers use this isothiocyanate as a key intermediate in constructing heterocyclic scaffolds during the synthesis of kinase inhibitors and antimicrobial pharmaceuticals. Reaction with nucleophile-rich amine intermediates enables the introduction of versatile isothiocyanate functionality, forming part of the final heterocycle core in various clinical candidates and reference-listed drugs.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP–NF Monographs (for verifying intermediates and process materials)
    • European Pharmacopoeia (Ph. Eur.) relevant to API intermediate synthesis
    • 21 CFR Part 210/211 US GMP for manufacturing of API intermediates

    Typical usage ratio

    • 0.8 to 1.5 equivalents for each primary amine or hydrazine functional group during cyclization, concentration chosen for maximum conversion and minimal byproduct in batch or flow synthesis parameters.

    Downstream process integration

    • Reactant addition during the nucleophilic aromatic substitution or cyclocondensation step to form thiosemicarbazide or thiourea derivatives; followed by purification by recrystallization or chromatographic isolation.

    Final product types

    • Antimicrobial active pharmaceutical ingredient scaffolds
    • Kinase inhibitor intermediates for oncology drugs
    • Final bulk drug substances bearing aromatic thiosemicarbazide groups

    3. Fine Chemical Synthesis for Dye and Pigment Manufacturing

    Colorant producers integrate 3-Acetylphenyl Isothiocyanate in synthesizing azo and sulfur dyes, using its isothiocyanate group to achieve unique chromophore substitution patterns. During the diazotization and coupling reaction stage, it enables the formation of dye molecules exhibiting tailored absorption properties, lightfastness, and solubility for textile, leather, and plastic coloration applications.

    Industry compliance standards

    • OEKO-TEX® Standard 100 on harmful substance criteria
    • REACH Annex XVII restrictions regarding potentially hazardous intermediates
    • DIN EN ISO 105 series for colorfastness testing
    • GMP for industrial dyes registration (where applicable)

    Typical usage ratio

    • Between 0.6% to 1.8% by weight of the total dye mass, depending on the target shade intensity and desired substituent-specific color modulation.

    Downstream process integration

    • Introduction at the secondary coupling step, post-diazotization, to complete the assembly of the target dye molecule before filtration and drying operations.

    Final product types

    • Sulfur dyes for cotton and cellulosic fiber textiles
    • Custom azo pigments for plastics and coatings
    • Water-soluble reactive dyes for batik and direct print applications

    4. Synthesis of Specialty Polymers

    Advanced polymer producers rely on 3-Acetylphenyl Isothiocyanate as a functional monomer or chain-end modifier to introduce aromatic thiocarbamoyl groups into engineering plastics and specialty elastomers. This enables the creation of polymers exhibiting enhanced UV stability, thermal behavior, or site-specific chemical reactivity needed in niche industrial components and high-end coatings.

    Industry compliance standards

    • ISO 9001:2015 for specialty monomer production quality systems
    • TSCA (Toxic Substances Control Act, US) Inventory Listing for new polymeric substances
    • EU Regulation 10/2011 (for food-contact polymer evaluation, as applicable)
    • Polymer-specific in-house QC protocols aligning with ASTM D256 and D638 testing

    Typical usage ratio

    • 0.1% to 0.8% by molar ratio of repeat monomer units for chain-end modification; higher ratios possible for copolymer integration if property enhancement targets require.

    Downstream process integration

    • Addition at prepolymer mixing or reactive extrusion phase, facilitating covalent incorporation before curing or pelletization sequenced with chain growth or condensation reactions.

    Final product types

    • UV-resistant thermosetting resins for automotive coatings
    • Specialty elastomeric gaskets with tailored reactivity
    • Photoactive polymeric films for optoelectronic displays
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    Certification & Compliance
    More Introduction

    3-Acetylphenyl Isothiocyanate: A Manufacturer's Insight

    Our Take on 3-Acetylphenyl Isothiocyanate

    For years, we have stood at the front line of aromatic isothiocyanate manufacturing. Confidence in what we do comes from the direct knowledge of our processes, our engineers’ hands-on work, and an intimate understanding of the practical demands in laboratories and industrial spheres. Among the many specialty chemicals we offer, 3-Acetylphenyl Isothiocyanate stands out for its utility in both research and manufacturing. We have watched this compound move from bench-scale investigations up through larger projects, and the feedback always circles back to reliability and clean reactivity.

    What Sets the Molecular Structure Apart

    The structure of 3-Acetylphenyl Isothiocyanate consists of a phenyl ring substituted at the meta-position with an acetyl group and carrying an isothiocyanate functional group. This specific substitution pattern gives the compound a distinctive combination of electron-withdrawing and donating characteristics. Chemists in both academia and industry do not choose it blindly: the meta-acetyl placement tunes the molecule’s reactivity and solubility just enough to make it preferable for intricate syntheses, especially when compared to the para- or ortho-acetyl analogs.

    Our own product, manufactured under rigorously controlled conditions, consistently meets a purity specification of minimum 98% by GC. This high purity matters in real-world syntheses, where trace contaminants compromise yields or introduce side products. We commit to batch consistency. Years ago, we realized that fluctuations in isothiocyanate content between lots resulted in headaches for our recurring customers. We set up a twin-column quality control system, regularly check NMR and IR data, and train staff to spot deviations before they reach filling lines.

    Benefits in Synthesis and Research

    Organic chemists favor 3-Acetylphenyl Isothiocyanate for introducing both the acetyl and isothiocyanate groups into molecules in a single step. These functional groups unlock varied downstream transformations. Our direct clients work in fine chemicals, pharmaceutical intermediates, fluorescent tagging, and agrochemical development. It earns its keep as a key building block in the production of diaryl thioureas, heterocycles, and differentiated ligands. The acetyl group at the 3-position appears subtle, but its influence on the reactivity profile and regioselectivity is pronounced. In drug synthesis, for example, subtle changes in substitution pattern result in measurable changes in pharmacological properties—sometimes enough to move candidate molecules from ‘inactive’ to ‘promising’ simply by shifting from the para- to the meta-acetyl.

    Our plant has provided this chemical for academic collaborations where research hinged on forming new couplings or heteroatom substitutions not accessible with other isothiocyanates. 3-Acetylphenyl Isothiocyanate enables route diversification for faster optimization cycles, offering up new analogues to confirm biological hypotheses. The responsiveness of the isothiocyanate group means fewer steps between starting material and target, time savings, and less waste. We observe researchers opt for it when they need precise selectivity and a track record of reproducibility.

    Reliable Manufacturing and Material Handling

    Working inside the plant, I have seen how the handling and packaging of 3-Acetylphenyl Isothiocyanate affects both safety and usability. Our operation favors small batch processing, which keeps storage time low and prevents long-term degradation. Air and moisture sensitivity are real concerns with isothiocyanates. We use lined containers, inert atmosphere transfers, and ship only after a triple-point check of both analytical results and visual clarity.

    We found through experience that offering a precisely measured, sealed product brings peace of mind to customers. Any exposure to moisture, even during transfer, can lead to hydrolysis or polymerization—compromising both utility and safety. This chemical holds a pungent, sulfurous aroma that indicates its active isothiocyanate group remains intact. Our packing teams are trained for rapid filling and sealing, wearing personal protective equipment to contain volatilization and ensure safe logistics. We also print clear shelf-life and storage guidance—our own formulation relies on no-nonsense advice from decades of practical storage experience, not just what a literature review suggests.

    Real Differences Compared to Other Aromatic Isothiocyanates

    Across projects, buyers sometimes ask what distinguishes 3-Acetylphenyl Isothiocyanate from familiar alternatives like 4-methoxyphenyl or 2-chlorophenyl isothiocyanate. The answer goes beyond just substitution patterns, as physicochemical properties drive process choices. The acetyl group provides an excellent handle for further modifications, while the meta-position sidesteps the steric and electronic issues seen in ortho- or para-substitutions. Solubility in common organic solvents, compared to other isothiocyanates, supports broader compatibility with established reaction conditions.

    Reactivity differences show up in cyclization strategies, especially for constructing sulfur-rich heterocycles. Some pharmaceutical companies told us that alternative isothiocyanates turned out to be too reactive or too sluggish for their targets. Our product usually finds a sweet spot—reactive enough to proceed under moderate conditions, but not so active that it encourages uncontrolled side reactions.

    In applications such as material science or dye chemistry, the product’s acetyl group can be valuable for downstream oxidation or reduction, producing moieties that simply cannot be accessed from other isothiocyanates. By keeping a close relationship with research and process engineers, we gather continuous feedback on these points. This is not ‘one size fits all’. Individuals in our technical service team—people trained on plant floors, not just in sales—communicate nuanced strengths and limitations so users can plan around exact process parameters.

    Pragmatic Usage From Bench to Bulk

    In our experience, both bench scientists and process engineers prize predictability over everything else. Every new process carries some risk, but unreliable input materials invite unnecessary headaches and rework. Our 3-Acetylphenyl Isothiocyanate does well in stirring, heating, or solvent switching; its character remains unchanged, batch after batch. While some other isothiocyanates show haze or discoloration when exposed to open air, ours remains a clear to pale yellow liquid, with rapid shipment from reactor to container limiting opportunities for degradation.

    Working alongside customers in process optimization, we see interest in scaling from gram to kilogram. The consistency of our product supports direct transfer of optimized lab protocols to production scale. No one wants to risk multimillion-dollar investments for a key intermediate that refuses to cooperate on Day 2. We understand, as we have run our own pilots before expanding capacity. By keeping synthesis, QC, and filling operations under one roof, we control risks at every link.

    Responding to Environmental and Safety Pressures

    Modern chemical manufacturing cannot ignore evolving environmental safety requirements. Isothiocyanates pose specific handling challenges; worker safety and process emissions demand just as much planning as product purity. Long ago, we discovered that simple closed transfer lines, improved local exhaust, and proper material containment allow our teams to process and package materials efficiently without crossing regulatory thresholds for workplace exposure. Our incident rates for handling and spills stay low thanks to continuous refresher training and clear protocols.

    Waste minimization matters both for cost and sustainable operation. Reaction solvents and washes are recovered whenever practical, and we maintain relationships with licensed waste treatment partners for depreciation of spent materials. Over the last five years, we have invested in process intensification: shorter reaction times, less solvent, and higher conversion. The cumulative effect is less material entering the waste stream and a safer work environment for everyone. While every production facility has its own unique energy and emissions challenges, our primary plant sits in a region with reliable access to tested air and water filtration systems. We keep close tabs on public reporting obligations and meet with environmental inspectors for regular compliance checks.

    Backing Up Claims With Evidence

    Our claim to quality in 3-Acetylphenyl Isothiocyanate manufacturing rests on measurable data, not just company slogans. Each batch undergoes GC-MS assessment and NMR confirmation. During audits, inspectors pull random samples, which always match our internal certificates. We submit representative samples to external institutes as a routine check, and published values for melting point, boiling range, and refractive index align with our own measurements. Long-term clients keep coming back, and we view repeat orders as meaningful evidence—at the end of the day, reliability is the real currency in specialty chemicals.

    In process troubleshooting, customers have shipped back competitor products that failed to deliver yields, suspecting purity or contamination issues. Our technical support teams analyze these cases, providing chromatograms and comparison spectra to verify compound integrity. Instances of false positives or impurities turning up are rare, but they teach us how much downstream risk comes from seemingly small supplier deviations. By maintaining control over every production phase, we offer real confidence, not just certificates on paper.

    Challenges and Solutions in a Fast-Moving Market

    The specialty chemical sector sees shifting demand as research trends and regulatory frameworks evolve. Some years, requests for 3-Acetylphenyl Isothiocyanate spike due to a published synthetic route or a patent breakthrough; other years, demand drops as companies run through existing inventories or pivot to different intermediates. In our experience, the way to keep pace is flexibility—a willingness to adjust batch sizes, shift reactor scheduling, and plan staff rotations to cope with unexpected surges.

    We address raw material volatility by maintaining secure supplier relationships. If one input experiences a market shock, our buyers shift procurement without pausing production. Investment in pre-qualified alternatives means we can continue meeting orders even during global supply disruptions. Decision-making runs throughout our organization, with production managers, QC staff, and logistics coordinators in constant communication. This removes bottlenecks and supports quick decision cycles.

    At the customer interface, technical exchange makes a difference. One research institute wanted a tailored impurity profile for a toxicology assessment. We collaborated directly with their chemists, adjusting reaction conditions to minimize specific trace compounds. No party lines, no obstruction—just clear feedback loops to meet rigorous demands. Our confidence in these bespoke runs comes from familiarity with our own plant, not from agency promises or outside subcontractors.

    Forward-Looking Developments in Isothiocyanate Chemistry

    Years of service in chemical manufacturing reveal emerging frontiers before they hit mainstream publications. We monitor new trends in aromatic isothiocyanate applications, from targeted covalent inhibitors in drug design to sophisticated nanomaterial synthesis. 3-Acetylphenyl Isothiocyanate continues to command interest because its functional groups map well to new synthetic challenges. Process optimizations allow introduction of novel protective groups or selective deprotection strategies. We join academic partners on grant projects and lend both materials and know-how to help push discovery forward.

    Efforts toward greener chemistry influence improvements in our own processes. We review new catalytic methodologies, screen for enzyme compatibility, and provide feedback to research consortia seeking scalable, sustainable isothiocyanate syntheses. Where feasible, we pursue solvent substitution and reactant atom economy, always with an eye on both economic and ecological outcomes. As interest grows in flow synthesis, we adapt for compatibility, supporting continuous operation with steady, in-line quality feedback rather than relying solely on post-run analysis.

    Collaborative Partnerships Drive Real-World Success

    As a manufacturer, we measure success by the outcomes we enable for collaborators—whether they need grams for method development or kilograms for validated production. Long-term partners come to us with projects at varying readiness levels: a brand-new target for scale-up, a familiar process requiring a cleaner intermediate, or a troubleshooting request after failed reactions with materials from less rigorous sources. Our door remains open for direct consultation with chemists and process leads planning new campaigns.

    By offering our direct technical expertise, customers avoid the delays and ambiguity that come from sourcing through layers of intermediaries. Every batch of 3-Acetylphenyl Isothiocyanate we ship represents the combined effort of trained technicians, analytical chemists, and experienced plant staff. We invest in ongoing communication before and after each delivery, not just to secure repeat business but to ensure our product actually makes a positive impact on the processes it enters.

    Mutual success depends on open dialogue. Problems that crop up—such as unanticipated reactivity, storage concerns, or process impurities—are met with transparent data sharing and practical fixes, not evasive maneuvers. This approach breeds trust, the real foundation for consistency in specialty chemicals.

    Honest Reflections From the Shop Floor

    Over decades in manufacturing, our priorities remain steadfast: deliver materials that do what customers expect, minimize downstream headaches, and operate safely and responsibly. 3-Acetylphenyl Isothiocyanate has proven its worth across disciplines, reflected in years of satisfied end-users and low complaint rates. Periodic process reviews, equipment upgrades, and training cycles ensure we keep pace with both technological shifts and shifts in market demand. Mistakes happen from time to time, as in any human-centered operation. Each one becomes a lesson, written into our process documentation, training updates, and (when needed) fundamental workflow changes.

    The chemical manufacturing industry never stands still, and we see change every year—a new application, a regulatory pivot, a supply chain scare. We draw on direct experience, feedback from research and production partners, and old-fashioned plant floor problem-solving. Every bottle of 3-Acetylphenyl Isothiocyanate that leaves our site reflects this evolution. Instead of chasing buzzwords or promising more than we can deliver, we lean on facts and relationships built over time. This approach keeps our feet on the ground, ensures consistent supply, and makes us proud of the work we do.