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3,4-Dimethoxyphenyl Isothiocyanate

    • Product Name 3,4-Dimethoxyphenyl Isothiocyanate
    • Alias 3,4-Dimethoxyphenyl isothiocyanate
    • Einecs 210-367-2
    • 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

    926780

    Cas Number 22942-17-0
    Molecular Formula C9H9NO2S
    Molecular Weight 195.24 g/mol
    Appearance Yellow to brown solid
    Melting Point 85-88°C
    Solubility Soluble in organic solvents such as dichloromethane and ethanol
    Purity Typically ≥98%
    Chemical Structure Isothiocyanate group attached to a 3,4-dimethoxyphenyl ring
    Iupac Name 1-isothiocyanato-3,4-dimethoxybenzene
    Synonyms 3,4-Dimethoxyphenyl isothiocyanate; Isothiocyanic acid 3,4-dimethoxyphenyl ester

    As an accredited 3,4-Dimethoxyphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Brown glass bottle labeled "3,4-Dimethoxyphenyl Isothiocyanate, 25g," with hazard symbols, lot number, and storage instructions printed clearly.
    Shipping 3,4-Dimethoxyphenyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture and light. It is typically transported according to applicable chemical safety regulations, including labeling as an irritant. The package includes safety data, and handling requires personal protective equipment. Ensure upright positioning and avoid exposure to extreme temperatures during transit.
    Storage 3,4-Dimethoxyphenyl Isothiocyanate should be stored in a tightly sealed container, away from direct sunlight and moisture, in a cool, dry, and well-ventilated area. Keep it away from incompatible substances such as strong acids and bases. Use proper labeling and handle with appropriate protective equipment to prevent inhalation, ingestion, and skin or eye contact. Store according to standard chemical safety protocols.
    Application of 3,4-Dimethoxyphenyl Isothiocyanate

    Applications of 3,4-Dimethoxyphenyl Isothiocyanate in Industrial Manufacturing

    3,4-Dimethoxyphenyl Isothiocyanate is a key intermediate with multiple technical-grade applications across fine chemical production, pharmaceutical synthesis, agrochemical formulation, and advanced dye manufacturing. As a producer, we support diverse clients in integrating this molecule within regulated, quality-controlled operations.

    1. Pharmaceutical Intermediate for Anticancer Drug Synthesis

    This compound serves as a critical building block for developing anticancer APIs, supported by its isothiocyanate functionality facilitating targeted molecular modification. Chemists employ this material in the preparation of specific kinase inhibitors and cytotoxic agents. Direct coupling reactions enable downstream incorporation, while stringent quality control assures regulatory compliance in clinical-grade material synthesis.

    Industry compliance standards

    • ICH Q7 GMP Guidelines for Active Pharmaceutical Ingredients (APIs)
    • EU Good Manufacturing Practice (EudraLex Volume 4, Part II)
    • USP/NF monographs for API intermediates
    • FDA Title 21 CFR Part 211 (Current Good Manufacturing Practice for Finished Pharmaceuticals)

    Typical usage ratio

    • 2–5 mol% in key-step condensation or substitution reactions, depending on target molecule and process yield requirements
    • Adjust ratios based on scale-up stability studies and impurity control thresholds

    Downstream process integration

    • Direct input as an isothiocyanate donor in nucleophilic aromatic substitution steps
    • Stagewise purification and HPLC analysis before API finishing process
    • Used in solid-liquid phase synthesis with real-time inline monitoring

    Final product types

    • Antineoplastic drug substances (e.g., targeted kinase inhibitor APIs)
    • Small-molecule cancer therapeutics
    • Precursor libraries for preclinical oncology research
    • Regulated pharmaceutical reference standards

    2. Building Block in Agrochemical Active Ingredient Synthesis

    Industrial agrochemical formulators utilize this raw material as an aromatic isothiocyanate source for synthesizing pre-emergent herbicides and selective pesticides. Its dual methoxy groups allow for electronic modification, enhancing substrate specificity in key active ingredients. In multi-step syntheses, technical teams carefully manage reaction temperatures and isolation procedures to maintain batch consistency and regulatory residue limits.

    Industry compliance standards

    • FAO/WHO Specifications for Agricultural Pesticides and Their Formulations
    • EPA (US) 40 CFR Part 158 (Data Requirements for Pesticides)
    • ISO 9001:2015 Quality Management System for Agrochemical Production
    • REACH Regulation (EC) No 1907/2006 for chemical safety in Europe

    Typical usage ratio

    • 0.5–2 molar equivalents during aromatic substitution or coupling protocols, final ratio based on active content of target molecule
    • Ratio adjustment depending on downstream product purity and environmental safety assessment

    Downstream process integration

    • Introduced at the key coupling step for isothiocyanate functionalization
    • Followed by controlled crystallization and filtration for product refinement
    • Integrated QC by GC-MS for trace impurity control pre-formulation

    Final product types

    • Selective pre-emergence herbicides for cereal crops
    • Nematicide actives for horticultural applications
    • Intermediate scaffolds for development of novel agrochemicals
    • Post-emergence weed management agents

    3. Intermediate for Specialty Dye & Pigment Synthesis

    Manufacturers in the dye sector employ this compound to introduce isothiocyanate-reactive centers during the synthesis of high-performance azo and sulfur dyes. The double methoxy substitution facilitates specific color fastness and solubility properties, essential for textile and plastics applications. Batch consistency and color index matching require in-process HPLC verification at every critical stage, ensuring compliance with textile safety norms.

    Industry compliance standards

    • Oeko-Tex Standard 100 (Textile Safety)
    • ISO 9001:2015 Certified Quality System
    • ZDHC (Zero Discharge of Hazardous Chemicals) MRSL
    • REACH Annex XVII (restrictions on hazardous substances)

    Typical usage ratio

    • 3–6 wt% relative to total dye mass in a multi-component synthesis
    • Adjusted per application to achieve target chromophore strength and shade depth

    Downstream process integration

    • Reactive addition during azo coupling or sulfur dye cyclization reactions
    • Followed by purification via solvent extraction or chromatographic fractionation
    • Monitoring with UV-Vis spectroscopy for pigment standardization

    Final product types

    • Reactive sulfur dyes for cellulosic fiber applications
    • High-stability organic pigments in plastics and ink formulations
    • Custom blends for automotive and textile coloration
    • Color fastness additives for industrial coatings

    4. Precursor in Fine Chemical and Research Reagent Production

    Academic labs and industrial R&D centers use this isothiocyanate during target molecule synthesis for structure-activity studies and probe chemistry. Its selective reactivity aids in the preparation of functionalized linkers and advanced small molecules. Precise handling, reagent-grade purity, and batch traceability are maintained per laboratory safety protocols and regional import-export regulations.

    Industry compliance standards

    • OECD Good Laboratory Practice (GLP) for Research Reagents
    • ISO/IEC 17025 (Testing and Calibration Laboratories)
    • Local and international CITES/ECHA shipment controls for research chemicals
    • Hazard classification per GHS/CLP Regulation (EC) No 1272/2008

    Typical usage ratio

    • 1.0–3.0 equivalents in target molecule synthesis, fine-tuned by substrate reactivity in bench-scale optimization
    • Usage determined by desired functional group incorporation and scale

    Downstream process integration

    • Direct addition in nucleophilic addition or coupling protocols for custom molecule synthesis
    • Incorporation in linker molecule assembly for bioconjugation
    • Sequential purification and NMR/LC-MS confirmation for research grade materials

    Final product types

    • Advanced research chemicals for pharmaceutical discovery
    • Structure-activity relationship probe molecules
    • Functionalized bioconjugation intermediates
    • Reference standards for analytical method development
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    Certification & Compliance
    More Introduction

    Shaping the Future of Phenyl Isothiocyanates: A Closer Look at 3,4-Dimethoxyphenyl Isothiocyanate

    Experience at the Source: Our Story with 3,4-Dimethoxyphenyl Isothiocyanate

    In the business of chemical manufacturing, every molecule carries a history of trial, technical evolution, and practical feedback from real customers. We don’t just ship out bottles; we craft each batch and monitor its life from the raw materials that arrive at our facility to the synthetic yield that leaves through the loading dock. Among the portfolios we’ve built over years of problem-solving, 3,4-Dimethoxyphenyl Isothiocyanate sometimes doesn’t catch the spotlight as quickly as mainstream substrates, but it speaks loudly for itself in specialized organic syntheses.

    Our journey with this compound began over a decade ago. Researchers in the pharmaceutical and agricultural industries first requested it as a precursor for small molecule libraries. Back then, the market offered just a handful of choices, most of which carried soluble debris, tars, or a faint sulfurous taint. These impurities often created headaches down the line, adding time to purification steps or producing unpredictable side products. We saw these frustrations firsthand. Our chemists mapped a synthesis route that prioritized selectivity, and our technical team worked through dozens of operational tweaks before we landed on a process delivering product with high purity, reliable solubility, and a consistent batch texture that minimized waste and filtration effort.

    Our Model and What Sets It Apart

    Our 3,4-Dimethoxyphenyl Isothiocyanate (CAS number: 22826-44-2) carries a defined molecular structure, C9H9NO2S, with methoxy groups in the 3 and 4 positions on the aromatic ring. We refined our process to avoid over-sulfurization and payload of trace metals that users sometimes encountered with other producers. Each batch, designed for kilogram production, leaves our reactor at purities above 98% by HPLC. Customers report a pale yellow crystalline solid that plates well, resists atmospheric discoloration, and dissolves smoothly in common lab solvents like dichloromethane and ethyl acetate.

    This matters more than just on paper. Researchers rarely want to spend extra effort purifying starting materials; their time belongs to unique final compounds, not to scrubbing intermediates. By handing off material that works straight from its bottle, we help researchers keep schedules on track, limit loss during extra filtration, and avoid second-guessing their analytical results. Our team oversees every lot from the start of the synthesis to the moment jars are sealed and labeled. Rather than relying on remote contractors, our own staff guides and documents each run, which has driven down both complaint rates and the frequency of requalification requests from bulk buyers.

    Not Just Another Isothiocyanate

    All isothiocyanates carry the reactive –N=C=S group, yet the 3,4-dimethoxy substituted version offers unique advantages in selectivity and use-case. The two methoxy groups on the phenyl ring push electron density that shifts reactivity. Users in medicinal chemistry find that these modifications tune the final product profile. Those researching cancer therapeutics or enzyme inhibitors often ask for this precise analog—it enters structure-activity relationship studies as a key pivot point.

    We’ve tested side-by-side with simple phenyl isothiocyanate and its mono-methoxy cousins. The difference shows in downstream reactions: the double methoxy pattern confers higher regioselectivity in coupling reactions and sometimes enhances solubility in alcohols and ethers. Where other isothiocyanates tend to polymerize or discolor over months, ours keeps its clarity and transferability. Years of shelf-life studies, driven by feedback from labs working with multi-year projects, have proven this advantage.

    Those benefits are not just academic. Last year, a customer working on a targeted antimicrobial soon realized their previous product—sourced from a regional trader—produced erratic yields in the acylation step. After switching to our 3,4-dimethoxy variant, they reported a 30% improvement in reproducibility, fewer clogged lines, and downstream cost savings from reduced rework. These stories reinforce what we already track in-house: meticulous control at the factory translates to fewer surprises in the field.

    Usage Across Key Applications

    The chemistry community encounters this compound most often in multi-step syntheses aimed at creating new agrochemicals, pharmaceuticals, and materials science prototypes. Electron-donating methoxy groups influence both the reactivity and the polarity of this isothiocyanate. Its most common use starts with nucleophilic addition reactions, especially with amines, alcohols, or thiols. This leads directly to thioureas, ureas, and potential heterocyclic drugs. In peptide synthesis, it activates backbone extension, making it useful for custom peptide modification or conjugation chemistry.

    Consider a scenario where medicinal chemists are optimizing a kinase inhibitor library. Here, finding the right balance of hydrophobicity and functional reactivity drives synthesis campaign choices. 3,4-Dimethoxyphenyl isothiocyanate provides a flexible platform. The compound’s methoxy pattern changes how side chains orient, influencing both binding affinity and metabolic stability. That’s valuable information for teams shortening their lead optimization cycle. Earlier in our history, one of our main clients built their cancer screening platform anchored on products made from our isothiocyanate. Their feedback guided small tweaks in our process, such as fine-tuning recrystallization conditions to maximize active content and minimize the persistence of trace oxidized byproducts. Those adjustments originated not from a management boardroom, but from hands-on troubleshooting at the plant and from listening to researchers in real time.

    How Reliability is Built into Our Process

    Consistency matters more than any once-off exceptional lot. We run parallel controls on every large-scale synth and retain reference samples for retrospective QC matching. Our analysts flag variations in UV absorbance and run targeted mass spec screens for minor impurities. Before a single jar leaves our warehouse, it passes an identification match against characterized standards, and our logistics crew handles climate-controlled shipping to prevent both hydrolysis and photo-induced decomposition.

    We chose to bring as much of the process in-house as possible, from precursor aniline synthesis to batch isolation and packaging. Outsourcing exposes the supply chain to variable quality, shipping delays, and gaps in traceability. In our operation, each batch number links to a lot-specific synthesis report, and every return or inquiry on product triggers a full process trace-back. These records frequently help us troubleshoot rare field problems—such as trace particulate, odor, or color shift—within hours instead of days. When questions arise from users mid-experiment, our technical staff, many with field backgrounds themselves, answers based on hands-on familiarity.

    The regulatory landscape has grown tighter in recent years. Trace solvents, residual processing acids, and batch-to-batch variability can turn a straightforward synthesis into an expensive series of revalidations. Auditors and purchasing managers alike want not just a technical data sheet, but a supplier’s track record of on-spec deliveries. Our production records and QC archives have passed multiple third-party audits, not through any template compliance, but by sticking to defined, fully visible process checkpoints. That transparency builds confidence at the user end and reduces their handling burden.

    Making the Choice: How Ours Differs from Other Options

    Not all isothiocyanates behave the same way. Suppliers without manufacturing depth sometimes source intermediates from outside and focus on cost minimization. Material can arrive with inconsistent melting points or minor taints from depot storage. In contrast, our factory’s direct-from-reactor process shaves days off order fulfillment and allows us to tune parameters instantly when a client needs minor specification shifts—such as a narrower melting point or lower bulk density for easier handling. We’ve responded to urgent requests for very dry product, different particle size ranges, or higher packaging inertness, all without introducing the risk of blending or cross-contamination.

    Our customers sometimes ask why our product holds up so well in longer syntheses. The answer stems from both chemical and operational stability. Every raw material comes screened for off-batch contaminants. All solvent recycling runs to tight conductance and residue checks. Even our drum liners come pre-validated for compatibility, since solvents and isothiocyanate functional groups react with many plastics and cause leaching. We learned the hard way—years back a customer noticed faint yellowing after a few weeks, traced back to an overseas bagging batch that reacted with the liner. After that episode, every packaging material goes through a reactivity screen.

    The feedback cycles are tight. Our in-house labs validate every shipment. Whenever a researcher or process user tripped over a process bottleneck, we tackled the issue at root. One heavy-use client periodically screens multiple vendor lots head-to-head for their process. Their last round put our isothiocyanate at the top rank for ease of use and process yield.

    Handling and Storage—What End Users Have Taught Us

    Clients with high throughput tell us product form matters. A dusty cake leads to losses, while oversized lumps slow down weighing. We adjusted both agitation speeds and final drying time until we found a sweet spot: fine, flowable powder that doesn’t cake, but resists static and airborne losses. At our facility, proper ventilation and dry storage keep any odors or breakdown in check, letting us deliver product that rarely leaves even minor aroma behind after unsealing.

    Container choice grew out of experience. Standard amber glass bottles work for small users, but kilo quantities need rugged, inert buckets for safe storage. Every run ships in tamper-evident, sealed containers, minimizing risk of water uptake. Clients operating in humid climates insisted on second-layer heat seals years ago, and today, we build this in as a standard, not an extra. The goal remains delivering product that arrives exactly as intended—chemical performance untouched by time or transport.

    Every product batch receives a shelf-life guarantee based on real-time stability data, not just accelerated aging. Decades of tracked returns and minimal product-related customer complaints reinforce our approach. We don’t rely on blanket chemical classifications or wishful claims; real-world storage and use conditions form the backbone of our guarantees.

    Looking Forward: New Demands and Adaptation

    Innovation in synthetic pathways never stands still. As new reaction types and automated high-throughput screening come into play, demand for purer streams of intermediates rises. Genomic work in agricultural screening, and bioactive molecule discovery in both medicine and material science, increasingly call for 3,4-Dimethoxyphenyl Isothiocyanate in scales from milligrams to multi-kilo lots. Each technical process brings fresh requests for optimization—whether lower trace metals, specific polymorph forms, or enhanced documentation for regulatory approval.

    Sustainability and green chemistry push our team to review and reduce solvent usage, energy inputs, and potential emissions at every stage. Recovering and recycling solvents now drives internal targets, with waste tracking and supplier audits reducing our footprint compared to industry norms. As researchers chase compounds with lower environmental impact, upstream suppliers like us carry a lot of the responsibility. We see customers moving toward tighter scrutiny on all suppliers, preferring those who offer real traceability and ongoing product improvements—not just a lower price point or an anonymous label.

    Global transportation chains haven’t gotten simpler—rare disruptions, customs slowdowns, and evolving import regulations require resilience. We built a backup inventory and regional distribution partners, but never hand off QC or storage before customer receipt. Our in-house inventory control means orders—even off-schedule or sudden—can often be filled without delay or third-party intervention.

    Facing Risks and Finding Solutions

    Each batch of any isothiocyanate brings chemical risks. These aren’t just regulatory headaches—they’re safety and downstream liability issues if ignored. We never outsource the key risk control steps. All handlers and operators undergo quarterly retraining in both chemical management and response to accidental exposure. Process safety audits often surface small fixes—a better splash guard, updated emergency signage, or dual-signoff waste transfer. Simple as these changes seem, their effect is visible: virtually no major incidents in our production history, even through thousands of batch cycles.

    Some customers once struggled to keep exposure low in their own syntheses. Our technical team gathered feedback and published tailored handling SOPs, focused on workable containment, not just theory. Companies in the business of process optimization value open communication—one misstep in base handling or venting can throw off both yield and local safety monitoring. As product demand grew, especially for semi-automated setups, we worked with partners to redesign process hardware: introducing closed-transfer adapters, anti-static measures, and real-time monitoring to keep both product integrity and staff exposure far below regulatory thresholds.

    Strict traceability gives added security. Each outgoing batch is coded not just for reporting, but so any problem in the field can be traced down to the precise process and operator set. If a return ever does happen, we identify the issue root in hours, not weeks, and feed solutions straight back into plant operations.

    Why Consistency Matters in R&D and Production

    Few things derail a synthesis project faster than unexpected variability. This is especially true as teams run multi-step sequences or try to replicate literature procedures on scale. Working as a genuine manufacturer rather than a remote supplier, we’ve found most users value two things above all: consistency and technical responsiveness. Our plant staff get direct reports from customer R&D teams, and detailed field notes spark both major process upgrades and minor hacks—like modified drying for ultra-low water content in certain reactions.

    Batch-to-batch reproducibility lowers retooling costs and strengthens a lab’s ability to document their own workflows. The more dependable the input, the easier it is to validate final compounds, submit documentation, and scale syntheses up from gram to kilogram without missing a beat. Over the years, repeat bulk customers—whether agrochemical developers, pharmaceutical firms, or academic research consortia—rely on our transparent recordkeeping and real-time problem-solving to satisfy their own stakeholders. Whether it’s tracing a minor TLC streak to a byproduct or assisting with a modified scale-up protocol, our background as a working manufacturer and not an arm’s-length intermediary makes all the difference.

    The Path Forward: Building on Practical Knowledge

    Every year brings unexpected challenges, from raw material price shifts to updated safety requirements. We respond with gritty problem-solving, not shortcuts. Each synthesis run builds on the lessons of the last: better filtration, more accurate pH control, less energy waste. By staying at the ground level and keeping communication open with every user—from academic bench chemists to process engineers—we push for ongoing improvement in 3,4-Dimethoxyphenyl Isothiocyanate’s performance and availability.

    A product isn’t just about chemical structure or a technical spec line. It’s shaped by shared feedback, the discipline of manufacturing best practices, and the willingness to fix problems at the source. Our role as manufacturer grounds us in the reality of what users actually want and need. That means not just reliable delivery, but a willingness to adapt, answer questions, and take responsibility, batch after batch.

    As demand and applications grow more complex, our future plans focus on tighter quality metrics, greener process routes, and ongoing technical exchange with the people putting our chemicals to work across the world. 3,4-Dimethoxyphenyl Isothiocyanate serves as just one example of what attentive, responsive manufacturing can achieve—not just as a reagent, but as a proof of what hands-on experience brings to the interdisciplinary world of modern chemistry.