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3,4-Dimethylphenyl Isothiocyanate

    • Product Name 3,4-Dimethylphenyl Isothiocyanate
    • Alias m-Tolyl isothiocyanate
    • Einecs 219-032-2
    • 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

    859036

    Chemical Name 3,4-Dimethylphenyl Isothiocyanate
    Cas Number 10241-44-4
    Molecular Formula C9H9NS
    Molecular Weight 163.24 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 275-277 °C
    Density 1.10 g/cm³
    Refractive Index 1.626
    Smiles CC1=CC(=CC=C1C)N=C=S
    Purity Typically ≥98%
    Solubility Insoluble in water; soluble in organic solvents
    Storage Conditions Store at room temperature, keep container tightly closed
    Synonyms 3,4-Xylyl isothiocyanate

    As an accredited 3,4-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 secure screw cap, labeled "3,4-Dimethylphenyl Isothiocyanate" and hazard information clearly displayed.
    Shipping 3,4-Dimethylphenyl Isothiocyanate should be shipped in tightly sealed containers, protected from light and moisture. Transport in compliance with local, national, and international chemical regulations. Handle as a potentially harmful substance—use appropriate hazard labeling (e.g., irritant). Avoid extreme temperatures, and ensure containers are clearly labeled for chemical content and hazards during transit.
    Storage 3,4-Dimethylphenyl Isothiocyanate should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from heat and direct sunlight. Keep away from incompatible materials like strong oxidizers, acids, and bases. Store in a designated chemical storage cabinet and clearly label the container. Avoid contact with moisture and always follow local safety regulations.
    Application of 3,4-Dimethylphenyl Isothiocyanate

    Applications of 3,4-Dimethylphenyl Isothiocyanate in Industrial Manufacturing

    3,4-Dimethylphenyl Isothiocyanate is widely used as a key intermediate in several specialized chemical synthesis industries which rely on its reactive isothiocyanate functionality for the formation of critical bonds in complex organic compounds. The following sections detail established downstream applications, highlighting formulation parameters, integration stages, relevant compliance frameworks, and target finished goods.

    1. Pharmaceutical Intermediate Synthesis for Active Pharmaceutical Ingredients (APIs)

    Pharmaceutical manufacturers incorporate 3,4-Dimethylphenyl Isothiocyanate in the synthesis of thioamide- and thiourea-containing intermediates, which are crucial in the development of specific anti-inflammatory and antiviral APIs. The material is introduced at the heterocyclization phase, directly impacting reaction yields and molecular purity. Its handling requires strict adherence to regulatory and quality standards due to its role in producing medically regulated end products.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • FDA 21 CFR Part 211 (cGMP for Finished Pharmaceuticals)
    • EU GMP Part II (Basic Requirements for Active Substances)
    • Chinese Pharmacopoeia for API intermediates

    Typical usage ratio

    • Employed at 0.5–3.5 molar equivalent per reaction, dependent on targeted API structure, with adjustment based on the nucleophile’s reactivity and scale of synthesis.

    Downstream process integration

    • Introduced after initial aromatic amine formation, in the heterocyclization or urea-type coupling step during multi-stage batch synthesis under inert atmosphere.

    Final product types

    • Thiohydantoin-based pharmaceutical intermediates
    • Novel heterocyclic drug substances
    • Bulk APIs for research and development
    • Small molecule antiviral compounds

    2. Agrochemical Synthesis for Herbicide and Fungicide Precursors

    The agricultural chemical sector uses this raw material to construct isothiocyanate groups essential to select pre-emergence herbicides and seed treatment agents. 3,4-Dimethylphenyl Isothiocyanate reacts with amines or aliphatic substrates, allowing downstream blending with active pesticide ingredients during large-scale agrochemical formulation processes in compliance with global agronomical safety standards.

    Industry compliance standards

    • FAO/WHO International Code of Conduct on Pesticide Management
    • EU Regulation (EC) No 1107/2009 for Plant Protection Products
    • US EPA 40 CFR Part 158 (Data Requirements for Pesticides)
    • China GB 2763 Maximum Residue Limits for Pesticides in Food

    Typical usage ratio

    • Incorporated at 1.2–2.0 mol equivalents in precursor synthesis reactions; adjusted by batch size and active ingredient loading needed in downstream granular or wettable powder formulations.

    Downstream process integration

    • Added during the intermediate coupling phase, preceding formulation into granules or concentrates, under controlled batchwise reaction and vacuum distillation conditions.

    Final product types

    • Chloroacetamide herbicide intermediates
    • Seed coating active agents for cereals and legumes
    • Systemic fungicide precursor solutions
    • Herbicide-tolerant trait expression chemicals

    3. Specialty Dye and Pigment Intermediate Manufacturing

    Synthetic dye producers and pigment converters utilize 3,4-Dimethylphenyl Isothiocyanate as a critical building block for azo and sulfur dye families. The isothiocyanate group forms stable chromophore linkages, directly affecting colorfastness and dispersion in advanced formulations designed for textiles or technical coatings, all under rigorous batch traceability and color compound purity controls.

    Industry compliance standards

    • OEKO-TEX® Standard 100: Class I–IV textile limitations
    • REACH Annex XVII (Restriction of certain hazardous substances, dyes, and pigments)
    • ISO 9001:2015 Quality Management for Pigment Production
    • ZDHC MRSL (Manufacturing Restricted Substances List) for dye industry

    Typical usage ratio

    • Active at 0.8–2.2% w/w relative to aromatic substrate; precise levels depend on target chromophore group and desired shade depth in final dye batch.

    Downstream process integration

    • Dosed at the diazotization or coupling stage of pigment and dye synthesis, often under controlled temperature and continuous stirring conditions for uniform reaction progression.

    Final product types

    • Disperse dyes for polyester fibers
    • Reactive azo dyes for cotton and rayon
    • Sulfur-dye intermediates for blended fabrics
    • Colorant masters for plastic and synthetic leather coatings

    4. Chemical Synthesis of Polymer Additives

    Polymer processing industries incorporate 3,4-Dimethylphenyl Isothiocyanate for the production of specific crosslinking and stabilizing agents, which improve the thermal and oxidative resistance of specialty resins and elastomer compounds. The compound links with polyols or amine group terminals during modification of pre-polymers, ensuring compliance with global consumer goods safety and environmental standards for plastics.

    Industry compliance standards

    • EU Regulation (EU) No 10/2011 on plastic materials and articles intended to come into contact with food
    • US FDA 21 CFR 177.2600 (Rubber articles intended for repeated use)
    • ISO 14001:2015 (Environmental Management Systems for chemical manufacturers)
    • RoHS (2011/65/EU) Restriction of Hazardous Substances Directive

    Typical usage ratio

    • Applied at 0.1–1.8% by mass in resin or elastomer formulation, with exact dosing adjusted according to polymer base and target crosslink density in end-use applications.

    Downstream process integration

    • Integrated during pre-polymer modification or additive blending phase in closed system mixers, prior to reactive extrusion or vulcanization.

    Final product types

    • Heat-resistant polyurethane foams
    • Polyolefin-based engineering plastics
    • Specialty elastomers for automotive and electronics encapsulation
    • Food-contact compliant flexible packaging films

    5. Synthesis of Analytical Reagents for Laboratory Diagnostics

    Producers of analytical chemical reagents use 3,4-Dimethylphenyl Isothiocyanate to manufacture derivatization agents required for chromatography and spectrophotometry analyses. It reacts with amino acids and peptides, facilitating accurate detection and quantification in clinical, environmental, and food safety laboratories, where certified traceability and purity are mandatory.

    Industry compliance standards

    • ISO 17034:2016 (General requirements for reference material producers)
    • USP–NF Analytical Standards for Diagnostic Reagents
    • ISO/IEC 17025:2017 Testing and calibration for chemical analysis laboratories
    • GLP (Good Laboratory Practice) for reagents and solvents

    Typical usage ratio

    • Utilized at 0.1–0.5 mmol per test reaction, determined based on sample load and sensitivity parameters for the analytical procedure.

    Downstream process integration

    • Introduced in derivatization reagent production during coupling with amino acid or peptide substrates, followed by purification and standardization for diagnostic kit assembly.

    Final product types

    • Chromatographic derivatization kits
    • High-purity labeling reagents for peptide sequencing
    • Calibration standards for spectrometry assays
    • Protein quantification working solutions
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    Certification & Compliance
    More Introduction

    3,4-Dimethylphenyl Isothiocyanate: A Closer Look at an Essential Building Block

    Understanding the Product and Its Background

    Our business has always revolved around making specialty chemicals that serve as starting points for synthesis in many industries. Over the years, we have developed a keen understanding of what separates a reliable raw material from a troublesome one. Among the varied isothiocyanates we produce, 3,4-Dimethylphenyl Isothiocyanate holds a unique place both for its consistent performance and its adaptability in downstream chemistry.

    Looking back over our production records and technical feedback, I’ve noticed requests for this compound have been steadily increasing—especially from pharmaceutical and agrochemical manufacturers. The molecule has a simple structure at first glance: a phenyl ring with two methyl groups at the 3 and 4 positions attached to an isothiocyanate group. This specific substitution changes how it behaves during organic reactions. The presence of those methyl groups gives the compound its distinctive reactivity, which often translates to better selectivity and cleaner reactions in the final steps.

    Model and Specifications Developed From Experience

    We manufacture 3,4-Dimethylphenyl Isothiocyanate under stringent controls for purity, color, and by-product content. By experience, a slightly yellow to light brown liquid is typical for high-purity material—clearer samples almost always point to well-controlled reactions and careful fractional distillation. Our standard model batches target a chemical purity of at least 98%, as measured by GC, and we keep moisture below 0.5%. These might seem like fine points to an outsider, but in practice, slight drifts in purity or moisture content can cause headaches further down the synthetic route, producing unwanted by-products or sticky reaction mixtures.

    You get a distinct, somewhat pungent odor—anyone who’s worked closely with isothiocyanates will recognize it right away—and the liquid form pours easily, even at lower ambient temperatures. Viscosity stays manageable unless the product is very cold.

    What Sets 3,4-Dimethylphenyl Isothiocyanate Apart

    Talking with process chemists, both on our team and at our customers’ sites, I hear the same thing: the methyl substitutions at the 3 and 4 positions on the phenyl ring matter more than they appear to on paper. Compared to the unsubstituted phenyl isothiocyanate, this derivative brings two major benefits: less overreaction during nucleophilic addition and more predictable product distribution in key syntheses.

    We’ve run several side-by-side trials ourselves. For instance, in urea or thiourea formation, the dimethyl version tends to give fewer side-reactions with amines and doesn’t polymerize as readily. This means the yields run higher, purification takes less solvent, and plant uptime increases. Only so many molecules can claim to actually shave hours off campaign runs, but this one does for certain transformations.

    On the analytical side, we’ve noticed a drop in by-product fingerprints on NMR and GC when we swap in 3,4-dimethyl instead of other phenyl isothiocyanates. The savings in time and reduced troubleshooting alone have already convinced several partners to make a permanent switch. In our experience, batch reproducibility reaches a new level when all incoming raw materials stay within narrow, guaranteed specifications.

    Applications: Lessons Learned From Real-World Processes

    The largest volume we’ve shipped goes right into pharmaceutical intermediates. It acts as a key building block for several nitrogen-containing heterocycles and advanced intermediates found in small-molecule drugs. Over the past decade, the move from bench to pilot to commercial scales has revealed which compounds lend themselves to up-scaling, and 3,4-Dimethylphenyl Isothiocyanate checks those boxes. Intense periods of R&D collaboration with several multinationals made this clear again and again: downstream purity of target molecules improves when starting materials are as uncontaminated as possible.

    Agrochemicals form the next largest segment. Products targeting pests or disease in crops require intermediates that not only react cleanly, but also stay stable during storage and handling. With 3,4-dimethyl substitution, we’ve yet to hear any major complaint about stability or batch-to-batch consistency. On our side, we emphasize robust packaging—sealed, inert-lined containers for orders above laboratory scale prevent hydrolysis or decomposition during shipment.

    Some smaller volume markets have surprised us. Contract research organizations and startups exploring new, biologically active molecules have reported that our material helps cut time off their sifting and screening cycles. Minor differences in precursor quality can make a big impact on discovering whether a lead compound has promise, so clean, consistent feedstock is not a luxury—it’s the difference between finding a hit and missing out entirely. We’ve taken feedback from these teams and made adjustments in our purification and quality checks over the years.

    The Production Side: What Experience Teaches

    As a manufacturer, you learn to respect the little details that affect every batch. All isothiocyanate processes generate heat and release pungent fumes—you don’t appreciate the challenge until you run a reactor on a sticky summer afternoon with an aging ventilation system. Over the years, we invested in exhaust upgrades and specialized scrubbers to keep the shop air clean and comply with tightening environmental standards. Good workplace safety starts with controlling these emissions, both for worker health and for good relations with local regulators.

    The synthesis requires skilled handling of chlorinated solvents and phosgene derivatives during intermediate steps. We maintain strict protocols for all hazardous reagents, using closed systems and in-line sensors. Reducing waste and increasing yield comes from steady process optimization: each year we revisit key heat transfer points, mixing parameters, and work-up steps. One season, small changes in reactor temperature profile bought us a full percentage point in yield and noticeably lowered residual impurities.

    Sampling and QA/QC play a bigger role than most outsiders appreciate. Methods developed by our analytical team let us identify off-spec batches quickly. If even slight impurities creep in, reprocessing or blending with good material keeps delivered quality above spec. Over the last five years, we cut product returns linked to out-of-spec shipments by more than half, thanks to deeper staff training and investment in better analytical equipment.

    Waste management stands out as our biggest ongoing challenge. By-products do not always lend themselves to easy recycling. We evaluate possibilities on a quarterly basis; some solvents are distilled and reused, others must be treated as hazardous waste. We work with certified handlers and proactively share best practices at industry meetings—no one benefits from hiding poor waste practices.

    Differences From Other Isothiocyanate Products

    Among the lineup of isothiocyanates we produce, the 3,4-dimethyl variant brings several advantages to customers. Compared to unsubstituted phenyl isothiocyanate, the methylated version displays both reduced volatility and a higher threshold for decomposition during routine heating. We see fewer complaints about shelf life or container buildup when stored under recommended conditions.

    Looking at cost structures, the 3,4-dimethyl derivative demands more raw material and slightly longer synthesis runs than mono-methylated analogs, but its benefits during downstream reactions often make up for that extra investment. Melt point depression due to those methyl groups means the liquid handles better in cool plant environments—other isothiocyanates form sludgy masses in uncontrolled warehouses, but this one rarely gives storage headaches.

    Some customers insist on only the para-methyl isomer, citing solubility or regulatory concerns. In our testing, only the 3,4-dimethyl form provides balanced reactivity that reduces unwanted cross-linking in polymer or resin modification. For research into new dyes or specialty coatings, feedback has been overwhelmingly positive, especially in terms of predictable chromophore installation and pigment shade.

    Admittedly, this product does not fit every application. Specific customers continue to order the monomethyl or unsubstituted versions for classical reasons—each molecule has its own window of use, dictated by both chemistry and regulation. Knowing which fits where requires more than listing specifications, so our technical and commercial teams stay closely involved with each end user to match molecular features to functional needs.

    The Importance of Purity, Packaging, and User Experience

    Having worked hands-on with this and related chemicals for two decades, I can say that day-to-day handling issues carry more impact than most datasheets suggest. Storage conditions, container seals, and headspace matters. A leaky seal or poor packaging may let in moisture, and degradation can progress faster than anyone expects, cutting into usable shelf life. Our default packaging solutions grew out of hard lessons with temperature excursions and humidity spikes.

    Feedback loops from customers led us to double-lining drums for large-scale shipments and using amber-glass, vacuum-sealed containers for kilo-lab uses. Preventing oxygen and water ingress preserves quality, which supports better shelf stability after receipt. Most complaints about off-odors or sticky residue clear up when customers switch to our improved packaging or follow tighter protocols we recommend on arrival.

    Real-world experience matters even at the level of labeling, documentation, and logistics. We keep all product traceability in place—each container bears production lot details and links back to our retained samples. If customers report concerns, we can pull archives and pinpoint whether a shipping or warehousing incident caused a quality shift. That peace of mind reassures downstream managers and QA teams, closing the loop on chemical pedigree and safeguarding process consistency.

    Supporting Responsible Practice and Handling

    Working up close with isothiocyanates means staying mindful of health and environmental precautions. We provide detailed handling recommendations based on direct experience: use with adequate ventilation, avoid prolonged skin contact, and store in properly labeled containers away from acidic or alkaline materials. Our support staff regularly conduct on-site training or virtual walk-throughs for new customers, sharing lessons we’ve learned the hard way.

    Incidents involving chemical exposure are rare, but response plans exist for a reason. We urge partners to keep spill control supplies close at hand and follow up with us regarding unusual incidents. Maintaining a safety culture protects not only end-users but the broader community—such a mindset grows out of real-world, boots-on-the-ground knowledge rather than rote regulatory checklists.

    Challenges in Supply and Remedial Approaches

    The last several years have highlighted supply chain vulnerabilities. Raw material interruptions—especially for specialty aromatic feedstock—cause headaches. Our approach remains steady: maintain long-term relationships with core suppliers, validate batches before acceptance, and keep backup stocks where feasible. Working closely with dedicated suppliers rather than chasing the lowest cost quote has saved us during market spikes or unexpected disruptions.

    Plant downtime for scheduled maintenance or upgrades always poses a scheduling dilemma, with customers depending on reliable delivery. By building up buffer stock during off-peak quarters and openly communicating about production schedules, we have minimized disruptions. Experience reminds us that hiding or downplaying a supply disruption always backfires—transparent updates foster trust, even when schedules slip by a day or two.

    We sometimes see sudden surges in demand linked to regulatory changes or new product launches in end-user sectors. Predicting these spikes is tough, but regular dialogue with our largest customers allows for nimbleness. Offering flexible lot sizes, expedited shipping, or split shipments has helped customers weather their own supply pressures, keeping production lines running during critical periods.

    Enhancing Value Through Experience and Collaboration

    Having produced and shipped tons of 3,4-Dimethylphenyl Isothiocyanate, we recognize that reliable supply is only part of the story. End-users want more than a drum of chemical—they want consistent support, solid documentation, and technical advice when reactions turn unpredictable. Our technical staff have spent years solving real-world problems—finding the source of minor impurities, adjusting solvent systems for difficult dissolutions, or recommending optimal storage and dispensing practices.

    Rather than offering a generic product, we focus on tailoring advice and support to the actual process at hand. A pharmaceutical synthesis running at scale faces different challenges than a discovery chemist making milligram quantities. Our staff routinely join troubleshooting calls, support documentation requests, and troubleshoot batch failures with fingerprinting analytics or alternative raw material options. This direct engagement builds deeper trust and often results in process improvements that benefit everyone involved.

    We see ourselves as more than sellers—shared goals with our customers help drive innovation and continual process improvement. Together, we have tested new work-up schemes, tackled novel impurity profiles, and optimized waste streams to align with tightening environmental standards. These partnerships add value beyond what an anonymous trader or distant reseller could provide.

    Looking Ahead: Steady Improvement and Sustainable Practices

    Years of experience in the isothiocyanate field make clear that no process stays static. Regulations, customer needs, raw material supply, and technical standards all shift with time. Our investment in continuous improvement—new reactors, upgraded analytical capabilities, expanded waste handling infrastructure—arises from listening to customer feedback and staying ahead of changing requirements rather than reacting after the fact.

    Sustainability occupies an increasing share of our planning. Our R&D team works on process tweaks to reduce hazardous waste, lower energy demands, and increase atom economy. Already, we reuse a portion of recovered solvents and send much less waste offsite than a decade ago. Where possible, we participate in industry benchmarking initiatives, sharing anonymous data to help set best practice standards on safe handling, emissions, and product stewardship.

    Product stewardship also extends to supporting downstream users with advice on recycling, reclamation, and end-of-life disposal. Many customers face growing pressure from environmental regulators and final consumers—our experience keeping our own house in order means we can offer relevant, real-world guidance rather than generic, one-size-fits-all advice.

    Conclusion: Why 3,4-Dimethylphenyl Isothiocyanate Matters To Us and To You

    Manufacturing 3,4-Dimethylphenyl Isothiocyanate involves more than chemistry—it’s about building trust with partners, handling the realities of large-scale production, and supporting customers through each step of their process. Experience shows that no two applications are exactly the same, but the need for purity, reliability, and support stays constant. That’s why we continue to prioritize technical feedback, rigorous quality assurance, and transparent communication.

    Across hundreds of batches, broad industry uses, and evolving regulatory landscapes, this product has proven its worth as a versatile building block. We remain committed to delivering quality material and practical support, helping customers innovate and grow. Practical, time-tested manufacturing and downstream experience drive our standards—and ultimately help ensure your success with each delivery of 3,4-Dimethylphenyl Isothiocyanate.