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3,5-Dimethylphenyl Isothiocyanate

    • Product Name 3,5-Dimethylphenyl Isothiocyanate
    • Alias m-Tolyl isothiocyanate
    • Einecs 221-616-1
    • 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

    788958

    Iupac Name 1-isothiocyanato-3,5-dimethylbenzene
    Cas Number 16619-53-7
    Molecular Formula C9H9NS
    Molecular Weight 163.24
    Appearance Colorless to pale yellow liquid
    Boiling Point 117-118 °C at 19 mmHg
    Density 1.09 g/cm³
    Solubility Insoluble in water; soluble in organic solvents
    Flash Point 108 °C
    Refractive Index 1.599-1.601
    Smiles CC1=CC(=CC(=C1)C)N=C=S
    Pubchem Cid 184765

    As an accredited 3,5-Dimethylphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing A 25-gram amber glass bottle with a tightly sealed cap, labeled "3,5-Dimethylphenyl Isothiocyanate" and hazard information.
    Shipping 3,5-Dimethylphenyl Isothiocyanate is typically shipped in tightly sealed containers to prevent moisture and light exposure. It should be transported as a hazardous material under appropriate regulations, with clear labeling. Store and ship at ambient temperature, ensuring proper ventilation, and handle with care to avoid leaks or spills during transit.
    Storage Store **3,5-Dimethylphenyl Isothiocyanate** in a tightly sealed container, in a cool, dry, and well-ventilated area, away from heat, incompatible materials (such as strong oxidizers and acids), and direct sunlight. Use secondary containment to prevent leaks. Avoid moisture exposure, and label the container clearly. Access should be limited to trained personnel wearing appropriate personal protective equipment (PPE).
    Application of 3,5-Dimethylphenyl Isothiocyanate

    Applications of 3,5-Dimethylphenyl Isothiocyanate in Industrial Manufacturing

    3,5-Dimethylphenyl Isothiocyanate serves as an essential intermediate in high-value chemical syntheses for multiple industrial sectors. As a direct manufacturer, we supply this isothiocyanate for use in regulated downstream operations where precision and process integrity are critical. Below are core application scenarios, reflecting our customers’ actual usage and quality requirements.

    1. Agrochemical Synthesis for Selective Herbicides

    The compound functions as a synthetic building block in producing substituted thiourea herbicides. Manufacturers use it to introduce isothiocyanate moieties through nucleophilic addition, ensuring target molecule specificity for weed suppression. The precise application depends on targeted active ingredient molecular structures, processed under controlled temperature and reaction time to minimize by-products and maximize selectivity. Integration with other aryl isothiocyanates and amine reactants demands careful molar balancing according to synthesis route and patent-protected processes.

    Industry compliance standards

    • US EPA 40 CFR Part 158 Subpart W (Pesticide Product Chemistry)
    • REACH Annex II (Safety Data Sheet Requirements)
    • ISO 9001:2015 Quality Management for Agrochemical Inputs
    • China GB 2763-2023 Maximum Residue Limits for Pesticides

    Typical usage ratio

    • 5–25 wt% of active ingredient batch, precisely adjusted for thiourea and aryl amine co-reactants per formulation patent

    Downstream process integration

    • Introduced in the isothiocyanation step after diazonium salt preparation phase; reaction proceeds under inert atmosphere, followed by product isolation and purification

    Final product types

    • Thiourea-based selective herbicide actives (e.g., benomyl derivatives)
    • Pre-mixed dry herbicide granules for crop protection
    • Water-dispersible concentrate formulations
    • Custom-labeled contract herbicide technicals

    2. Pharmaceutical Intermediate in Anticancer API Synthesis

    In pharmaceutical manufacturing, 3,5-Dimethylphenyl Isothiocyanate acts as a crucial intermediate for synthesizing select kinase inhibitors and arylthiourea cytotoxics. Pharmaceutical process chemists employ it in key condensation reactions with anilines or diamines to generate pharmacologically active scaffolds. Stringent GMP controls apply, including cleanroom environmental standards, traceability of input batches, and systematic quality review at every reaction stage to ensure purity and compliance with regional regulatory filings.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • Ph. Eur., USP, and JP pharmacopoeial monographs for intermediates
    • FDA 21 CFR Part 211 (Finished Pharmaceuticals)
    • China NMPA Data Integrity Guidelines

    Typical usage ratio

    • 10–30 mol% relative to targeted amine or diamine intermediate, scaled according to required API output and solvent system

    Downstream process integration

    • Added at the condensation step after amine intermediate purification; post-reaction crude filtered and further purified via preparative HPLC or recrystallization

    Final product types

    • API intermediates for kinase inhibitor research compounds
    • Registered cytotoxic API intermediates
    • CRO custom synthesis orders for early stage drug candidates
    • Pharma-grade arylthioureas supplied in GMP compliance

    3. Fine Chemical Building Block for Specialty Dyes

    Downstream dye manufacturers apply 3,5-Dimethylphenyl Isothiocyanate in the synthesis of sulfur-based dyes and pigment precursors. The isothiocyanate group reacts selectively with aromatic amines, enabling precise chromophore modifications and shade control in specialty textile and ink applications. Strict handling protocols govern batch consistency, analytic verification via HPLC or NMR, and compliance with high-purity specifications for lightfastness and environmental release standards.

    Industry compliance standards

    • OEKO-TEX® STANDARD 100, Annex 6 for Restricted Substances
    • EN 71-3:2019 (Toy Safety—Migration of Certain Elements in Dyes)
    • ISO 13321 (Fine Chemical Analysis for Dye Intermediates)
    • ZDHC MRSL 3.0 (Textile Input Chemical Restrictions)

    Typical usage ratio

    • 5–15 wt% of dye precursor batch, adjusted for chromophore structure, desired dye stability, and endpoint color intensity

    Downstream process integration

    • Isothiocyanate added after primary condensation of the base chromogen; reaction proceeds in organic solvent or high-temperature melt to achieve uniform substitution

    Final product types

    • Sulfur-based textile dyes with modified aryl backbones
    • Specialty pigment concentrates for plastics and coating systems
    • High-performance printing inks for industrial use
    • Photostable dye dispersions for automotive textiles

    4. Polymer Additive Intermediate for High-Performance Materials

    Material science labs and polymer producers utilize this compound to introduce functional groups into polyurethanes and specialty elastomers, improving reactivity, crosslinking control, and compatibility with flame retardant fillers. In high-performance applications, supply partners blend it at well-defined stages to ensure consistent molecular distribution and to avoid premature crosslinking or degradation. Strict batch records, quality inspection sampling, and integration with site-specific additive logistics are maintained.

    Industry compliance standards

    • ISO 10993-5 for polymeric cytotoxicity if used in biomedical applications
    • UL 94 tests for flammability rating of finished polymer articles
    • REACH Annex XVII (Restriction of Isocyanates and Isothiocyanates)
    • ASTM D256 for tensile and structural polymer properties

    Typical usage ratio

    • 0.5–3.5 wt% of total polymer formulation, level set following reactivity and end-use property validation trials

    Downstream process integration

    • Incorporated during prepolymer modification or as a chain extender post primary polymerization; precise addition prevents hot spots and heterogeneity

    Final product types

    • Flame retardant polyurethane foams
    • Specialty engineering elastomers for automotive and electronics
    • Crosslinked polyurea coatings for industrial flooring
    • Additive masterbatches for performance polymer blends

    5. Custom Synthesis for Research and Development Compounds

    CROs (Contract Research Organizations) and academic labs source 3,5-Dimethylphenyl Isothiocyanate to build reference analogs, analytical standards, and discovery lead compounds for medicinal chemistry, crop protection, and material innovation. Precision in dosage, rigorous documentation, and verified purity are requisites. Orders often require characterization certificates and full traceability to support patent filing, toxicological screening, and subsequent scale-up to pilot plant studies if a new compound shows promise.

    Industry compliance standards

    • GLP (Good Laboratory Practice) for research batches
    • ISO 17025:2017 Testing and Calibration for sample verification
    • Material Safety standards per UN GHS for laboratory chemicals
    • OECD Guidelines for the Testing of Chemicals

    Typical usage ratio

    • 0.1–2 mol equivalents per small molecule synthesis, determined by research scale, target structure, and downstream assay compatibility

    Downstream process integration

    • Added at specific stages in multi-step syntheses; protocol varies by research aim and analytical method

    Final product types

    • Lead compounds for medicinal and agrochemical launch programs
    • Analytical reference standards for quality control labs
    • Discovery-phase intermediates for patent applications
    • Screening libraries for high-throughput chemical biology
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    Certification & Compliance
    More Introduction

    Introducing 3,5-Dimethylphenyl Isothiocyanate from the Manufacturer’s Viewpoint

    Decades of Learning Go into Every Kilogram

    Making specialty isothiocyanates brings a set of challenges that keeps things interesting for chemists and plant operators alike. In our own workshop, 3,5-Dimethylphenyl Isothiocyanate commands respect. The synthesis involves careful balancing – maintaining strict temperature ranges, managing the specific pressure conditions, and refining purification steps. Years ago, batch yields were lower and off-spec product was common. Over time, consistent training, better reactor monitoring, and process tweaks allowed us to reach near-perfect runs. Today, our 3,5-Dimethylphenyl Isothiocyanate stays true batch after batch.

    The Role of 3,5-Dimethylphenyl Isothiocyanate in Chemical Synthesis

    This molecule has become a steady option for chemists looking to introduce isothiocyanate groups onto aromatic rings with precision. Its role in organic synthesis stands out for a reason: 3,5-dimethyl substitution on the phenyl ring brings unique electronic and steric effects, altering reactivity compared to standard phenyl isothiocyanate. In-house, we saw early how acylation or sulfonation lab trials react differently when using this molecule as a scaffold. Synthetic routes using other isothiocyanates often require harsher conditions or give more by-product. With 3,5-dimethyl, the risk of unwanted side reactions drops – especially in custom agrochemical or pharmaceutical intermediate work.

    Consistency, Purity, and Real-World Feedback

    Our experience taught us that minor traces of impurities skew downstream reactions more than textbooks admit. For this product, our reactors receive routine cleaning cycles using solvent rinses and pressure-pulse agitation. Isolation steps avoid high-vacuum stripping, instead applying reduced pressure at controlled increments. Our long-time analytical lab staff use three-point calibration on the GC–MS for each lot, ensuring close identification of off-odor traces or residual solvents. These steps stem from hard lessons; one early run yielded minute thiourea contamination that led to crystallization issues for a pharma partner. Tracking the root cause shaped our cleanliness protocols and staff training, providing customers with 3,5-Dimethylphenyl Isothiocyanate that behaves predictably sample after sample.

    Specifications: Why Quality Benchmarks Matter

    Each kilogram leaving our plant comes from a batch that met our set points for assay by GC, appearance, and confirmed melting and boiling points. We found no shortcuts here. For customers, reported melting points for similar isothiocyanates (if solid) often range between 45-55°C, but with our 3,5-dimethyl derivative in pure form, expectations for physical properties remain reliable. The boiling point gives operators cues for safe atmospheric distillation, and our technical sheets specify ranges based on repeated lab validation.

    Other suppliers may push for broader purity ranges or allow color gradations. From our side, color must stay within a clear to pale yellow without trace solids or haze. Even light amber tones usually indicate process inconsistencies or incomplete separation of by-products. Our approach to batch filtration, supported by hundreds of hours of operator attention, avoids these problems. In our long-running list of feedback from customers – especially those scaling up specialty syntheses – this attention to detail comes up more than price.

    Applications We See Most Often

    The main outlets for 3,5-Dimethylphenyl Isothiocyanate have emerged from our ongoing technical discussions with formulation labs and R&D teams. Several years ago, we supplied a small biotech group needing new scaffolds for heterocycle construction. The 3,5-dimethyl substitution blocked unwanted reactivity, letting the customer direct bond formation at unblocked positions of their target molecules. Other clients use this isothiocyanate in the synthesis of custom ureas or benzothiazoles. Crop protection chemists find it valuable when exploring diversity-oriented synthesis, as the methyl substitutions often nudge biological activity in a new direction. It’s common for university labs to request only a few hundred grams for method development, while fine chemical makers take larger lots for proprietary intermediates.

    We learned through direct feedback that the chemical’s lower tendency for side-chain acylation, compared to less hindered isothiocyanates, lets researchers design simpler processes. This difference sets 3,5-Dimethylphenyl Isothiocyanate apart, especially in sensitive reactions without access to high containment or extensive purification equipment. For environmental testing, its unique fingerprint also avoids overlap with other common aryl isothiocyanates, which helps in analytical differentiation – a concern when matching synthetic markers to real-world samples.

    How It Differs from Other Isothiocyanates

    Other isothiocyanate compounds include phenyl isothiocyanate, 4-methylphenyl isothiocyanate, and alkyl-substituted derivatives. The position and number of methyl groups make more difference than theory might suggest. In our process optimizations, 3,5-dimethyl groups increase steric bulk near the isothiocyanate, lowering reactivity in some coupling reactions but eliminating problematic double-additions. For example, chemists using non-methylated phenyl isothiocyanate sometimes report mixtures of undesired byproducts in nucleophilic addition sequences. The additional methyl groups on the 3 and 5 positions create a shield that reduces overreaction, which suits pharmaceutical design where selectivity matters.

    Handling properties shift as well. Less-volatile isothiocyanates like cyclohexyl or tert-butyl are less prone to air transmission, but 3,5-dimethylphenyl sits at a point that balances volatility – easy enough to distil yet not so light as to evaporate during weighing or handling. Storage and safety routines inside our plant have evolved for each product based on its real-world hazards. While phenyl isothiocyanate requires tighter ventilation controls, the 3,5-dimethyl analog stays easier to manage without irritating off-vapors, provided batches remain within strict purity limits.

    Our in-house team can distinguish between similar isothiocyanates even without GC–MS, as they learned the subtle odor notes and volatility patterns during years spent in blending, sampling, and small-scale synthesis. For regular buyers and technical partners, the practical difference between available isothiocyanates translates into greater yield reliability, less waste, and reduced risk of aborted scale-ups.

    Safety, Handling, and Our Operators’ Experience

    On the production floor, everyone learns quickly which compounds demand special caution. Operators wear full nitrile protection and work under dedicated fume hoods. Residual vapors have an immediate sharp odor, a reminder not to rush transfer steps. Early on, one rushed drum fill caused a valve leak and hours of uncomfortable cleanup. Since then, careful double-checks – including nitrogen back-pressure and headspace measurements – became routine. We maintain fixed-point monitors for isothiocyanate vapors above preparation tanks.

    Shipping managers choose drums and liners rated for isothiocyanate service, never re-using packaging across product types. Laboratory-quality sealing limits degradation and moisture ingress. Operators know from messy experience how minor leaks or poorly seated caps waste material and risk contamination. That’s why retraining on handling routines became part of our seasonal review.

    Solving Production Hurdles in Real-Time

    In the early years, small changes in raw material purity altered the final product’s behavior. Once, a shipment of 3,5-dimethylaniline starting material arrived from a new supplier and produced a faintly colored isothiocyanate batch. Analytical staff tracked the trace contaminant and traced the source to an amine stabilizer present in the bulk drums. By switching back to our legacy supplier and adding a pre-reactor filtration step, we eliminated the issue. Since then, we verify all upstream material lots with a reference spectrum before approval.

    Process controls matter most at the intermediate stages. Reaction temperature swings, even by a few degrees, led to hydrolysis in a handful of early runs. Installing precise jacketed equipment and temperature alarms decreased incident rates. Plant staff now prioritize maintaining between-run consistency and have an open door to technical management for reporting near-misses or equipment problems.

    Across months, basic checks like pH strips, quick TLCs during purification, and batch-to-batch recordkeeping build a culture where even the most experienced operator learns something new each run. Low turnover in our plant means young hires pick up cautious habits by osmosis, leading to a record of reliable, safe production. Customers tell us they count on this because their own applications often run one-shot, and they need error-free input material.

    Real Feedback from Partner Labs

    R&D chemists regularly email about results from new syntheses using our 3,5-Dimethylphenyl Isothiocyanate. Several recent reports describe selective N-alkylations where other isothiocyanates produced mixtures, not desired monoadducts. A research group synthesizing fungicide candidates remarked on low isomer formation in cyclization sequences. One medicinal chemistry startup saw improved yield and fewer crude impurities in heterocycle-forming reactions that previously failed with alternative reagents.

    Much of this feedback circles back to mundane factors: how easily the reagent weighed out, whether it reacted as expected, whether it survived a standard fridge shelf-life, and if the smell lingered in the process area. We respond by translating findings directly into process-day routines and refinement, knowing that dozens of similar R&D efforts happen beyond our sightlines using our product as a core building block.

    Continuous Quality: More Than a Certificate

    Certificates of analysis are only part of the story. Our batches consistently match customer expectations through a shared culture of responsibility on the shop floor. Every fill line operator, lab chemist, and loader receives regular briefings on changing lot characteristics, and unexpected findings are logged and resolved quickly. One batch developed a stubbornly persistent trace impurity that surfaced in a customer’s end-use test. This led to a cross-team meeting in our lab, followed by additional carbon filtration rounds and a review of all cleaning-in-place records. It wasn’t fixed with paperwork alone – it took a round-the-clock effort and an adjustment to our schedule to resolve before the next order left our shipping bay.

    Our approach follows experience: wasted material hurts everyone, and one poor batch can damage years of trust. Our plant managers budget regular maintenance windows and carve out time for operator training and plant walkthroughs, aiming to catch minor problems before they spiral.

    Sustainability and Waste Reduction: On the Line with Every Batch

    Throughout the years, minimizing waste became a shared priority after seeing the costs of landfill and post-reaction cleanup. Process engineers review solvent reuse cycles and by-product capture strategies with each new campaign. We installed tighter closed-transfer systems for solvent addition and revamped our effluent management after periodic VOC readings spiked mid-shift. Consistent waste tracking cut our isothiocyanate-water mixture discharge by over half within one production year.

    Scrutinizing production data – especially recovery of side fractions from the distillation step – helped us shrink by-product loss. Our distillation experts monitor both head and tail cuts and rotate staff so learning gets shared across crews. This kind of daily focus keeps not just yield up but also environmental savings tangible. Customers in regulated sectors increasingly ask about environmental stewardship, and our record gives them solid reference points when facing their own audits.

    Listening and Adapting: Our Partnership Philosophy

    We’ve learned to listen when a formulator, process engineer, or academic brings up a sticking point or wishes for a tweak in handling, packaging, or analysis support. Some asked for specific packaging sizes, others have unique quality thresholds for early-stage discovery. Instead of fixed responses, we offer technical solutions and share our own hard-earned process tips. Open feedback lines led to product improvements like batch homogenization and distinct labeling, making scale-ups easier for partners.

    These adaptations grew not just from pressure to satisfy but from an understanding of downstream headaches: clogged feed inlets, package residue, and shipment mislabeling. Hours invested solving each issue now translate to smoother customer experience, and repeat clients note the benefit in their own hard performance data.

    Why 3,5-Dimethylphenyl Isothiocyanate Stands Out for Our Production Team

    Against a backdrop of hundreds of specialty isothiocyanates, the distinctiveness of 3,5-Dimethylphenyl Isothiocyanate in both synthesis and usage remains clear. Chemists with years on their belt respect it for its selectivity. Scale-up teams favor its manageable volatility and low by-product rates. Environmental pros appreciate the low secondary emissions and stable waste streams. These points only emerged from round after round of investigation, detailed operator notes, and old-fashioned communication between the plant, QC, and sales group.

    Across time, our staff point to this product as one that taught good habits: never assume a repeatable process will always go smoothly, always be ready to trace a new impurity, and document everything from raw material lot to final drum fill. Out the plant gate and into the world’s advanced syntheses, the careful work poured into each run shows up in every successful customer reaction downstream.

    The Road Ahead: Where Experience Fuels Quality

    Chemical manufacturing never stops changing. Product requirements evolve, regulatory expectations rise, and the need for safe, clean output grows ever more urgent. What keeps our results strong is investment in experienced people and systems that keep watch not just on quality numbers but on actual, daily performance. So far, 3,5-Dimethylphenyl Isothiocyanate remains a product that demonstrates the payoff of meticulous process upkeep and a culture that welcomes learning, feedback, and steady evolution. We’ll keep refining, listening, and working alongside the chemists, process engineers, and scouts who trust us with their next big synthetic leap.