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HS Code |
359876 |
| Cas Number | 2949-36-0 |
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.22 g/mol |
| Iupac Name | 4-(Isothiocyanatophenyl) methyl ester |
| Appearance | Light yellow to brown crystalline powder |
| Melting Point | 67-70°C |
| Solubility | Slightly soluble in organic solvents |
| Density | 1.32 g/cm3 (estimated) |
| Purity | Typically ≥98% |
| Smiles | COC(=O)c1ccc(N=C=S)cc1 |
| Inchi | InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3 |
As an accredited 4-Methoxycarbonylphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Sealed amber glass bottle containing 5 grams 4-Methoxycarbonylphenyl Isothiocyanate, labeled with hazard warnings, lot number, and storage instructions. |
| Shipping | 4-Methoxycarbonylphenyl Isothiocyanate should be shipped in tightly sealed containers under dry, cool conditions, away from light, moisture, and incompatible substances. It must comply with relevant chemical transport regulations, and appropriate hazard labeling is required. Special attention to ventilation and leak-proof packaging ensures safety during transit. Handle with personal protective equipment as recommended. |
| Storage | 4-Methoxycarbonylphenyl Isothiocyanate should be stored in a tightly sealed container, away from moisture and incompatible materials such as strong bases and oxidizing agents. Store in a cool, dry, well-ventilated area, ideally at room temperature or lower. Protect from direct sunlight and sources of ignition. Ensure proper labeling and restrict access to trained personnel only. |
Applications of 4-Methoxycarbonylphenyl Isothiocyanate in Industrial Manufacturing4-Methoxycarbonylphenyl Isothiocyanate serves as a specialized intermediate with targeted applications in chemical synthesis for highly regulated industries. Its functional groups enable precise transformations, supporting the development of advanced materials, active pharmaceutical ingredients, and specialty monomers. Our manufacturing process delivers batch-to-batch consistency for critical applications across fine chemicals, pharmaceuticals, agrochemical research, and functional polymer synthesis. 1. Pharmaceutical Intermediate for API SynthesisThis compound provides a key isothiocyanate functionality for synthesizing heterocyclic scaffolds and thiourea derivatives in Active Pharmaceutical Ingredient (API) manufacturing. Process chemists leverage its controlled reactivity to introduce sulfur-containing moieties into molecular structures at various stages of drug synthesis. Medicinal chemists specify it for late-stage functionalization in the synthesis of targeted oncology and anti-inflammatory agents, emphasizing precise stoichiometry and impurity control. Industry compliance standards
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2. Agrochemical Research and Lead Molecule DevelopmentResearch groups and agrochemical manufacturers use this isothiocyanate as a building block in the design of new crop protection molecules, especially for the synthesis of sulfur-containing herbicides and fungicides. The compound’s predictable reactivity supports controlled derivatization in screening programs, allowing for rapid lead optimization and tox studies under regulated laboratory conditions. Industry compliance standards
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3. Specialty Monomer for High-Performance PolymersManufacturers of custom polymers specify this isothiocyanate to introduce pendant urea, thiourea, or carbamate functionalities along the polymer backbone. These features deliver improved thermal stability, flame retardance, and highly selective binding sites for niche engineered resins. Polymer chemists incorporate it at defined ratios to meet demanding property profiles for electronic materials and filtration media. Industry compliance standards
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4. Fine Chemical Synthesis for Diagnostic ReagentsSuppliers of analytical and diagnostic kits utilize this isothiocyanate for synthesizing isothiocyanate-activated fluorescent dyes and crosslinkers. These reagents require rigorous batch characterization and trace moisture control to ensure labeling efficiency. The isothiocyanate group enables covalent coupling to amine-functionalized biomolecules, expanding assay development capabilities for clinical and research diagnostics. Industry compliance standards
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5. Raw Material for Industrial Thiourea Derivative ManufacturingProducers of industrial thioureas and custom organosulfur intermediates employ our isothiocyanate for high-yield, low-residue syntheses. Its methyl ester group offers a downstream entry point for further hydrolysis or functional transformation, providing versatility for custom molecule design. This route supports the supply chain of process chemicals for textile auxiliaries, lubricant additives, and antiscalants. Industry compliance standards
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The road from raw materials to well-defined specialty chemicals runs straight through the manufacturing plant. As producers of 4-Methoxycarbonylphenyl Isothiocyanate, we’ve watched this compound move from niche interests in research to consistent demand in advanced chemical synthesis. Years back, before this substance gained traction, its applications drew interest from only a handful of chemists. Today's surge in custom synthesis, pharmaceutical intermediates, and material science has changed that picture. For folks working at the lab bench and the reactor controls, 4-Methoxycarbonylphenyl Isothiocyanate (often referenced by its structure rather than a trade name) has become one of those tools for getting real results.
Every lot of our 4-Methoxycarbonylphenyl Isothiocyanate, produced according to our internal code CPIT-001, starts with purified starting materials, tracked and inspected by our in-plant QC. On the books, the molecular formula stands at C9H7NO3S, and its CAS number solidifies traceability in the global chemical supply chain. What matters on a daily basis, though, comes down to batch uniformity, absence of residual solvents, and a purity that consistently passes NMR, HPLC, and GC checks. It’s easy to claim high purity, but consistent numbers above 99% speak when you’re blending into a pharmaceutical pathway or assembling building blocks for novel polymers.
Simple molecules rarely stay simple through scale-up. Several years ago, the first kilogram campaign for 4-Methoxycarbonylphenyl Isothiocyanate in our plant exposed just how sensitive aromatic isothiocyanates can be. Early on, ambient moisture crept into the process, producing unstable by-products and complaints from R&D clients. Since then, every stage of our process—starter esterification, thio-carbonyl insertion, controlled isolation—has earned its share of tweaks and engineering controls. Real-time IR monitoring isn’t a luxury; it’s a shield against batch repeat surprises. Operators rely on those safeguards so chemists downstream don’t face unexplained profile shifts.
Chemists join us for factory tours and often want to know: “How does 4-Methoxycarbonylphenyl Isothiocyanate really behave in the fume hood?” Working with this compound means handling a stable yet reactive isothiocyanate. The pale yellow, crystalline solid flows cleanly and dissolves reliably in standard polar organic solvents. Its melting point, which falls in a manageable range, means processing doesn’t stall due to low-temperature sticking or high-temperature degradation. That predictability minimizes headaches whether you’re weighing it for a small-scale coupling or scaling for pilot production. Odor control is another point—the distinct but not overwhelming aroma reminds users to work in ventilated spaces, but it doesn’t send folks running.
Several isothiocyanates compete for bench space in chemical labs, but most lack the precision of the methoxycarbonyl group’s influence. We’ve talked with synthetic teams working on kinase inhibitors, fluorescent probes, and modified peptides. They choose our 4-Methoxycarbonylphenyl Isothiocyanate because the methoxycarbonyl handle boosts selectivity for certain coupling reactions. It offers a unique starting point for downstream derivatization—especially in carbamate, thiourea, and urea synthesis routes. Some competitors supply unsubstituted phenyl isothiocyanate or halogen-substituted versions. But those alternatives fail to give the same blend of electronic and steric tuning. Substitution pattern matters to anyone optimizing yields and minimizing purification steps. Chasing cleaner work-ups means less time lost to troubleshooting.
Old habits in the industry favor endless specification sheets. We focus on details that make a direct impact. Melting range sits reliably between 94 and 98°C, so shipping and storage stay straightforward in typical lab warehouses. Moisture content stays below 0.5% by Karl Fischer, a number our customers emphasize during polymerizations where water spells trouble. We deliver lots sized for research, kilo-scale, and even process evaluation batches, never cutting corners on traceability. Each container carries a QR code bound to lab results from that specific batch, not a generic assurance from last year.
Real-world chemistry shines a spotlight on results. One custom synthesis partner pursued a new pathway for a non-linear optical material and leaned on the methoxycarbonyl addition for downstream modification. Another team blended our product into solid-phase peptide synthesis; they cited reduced side-reactions and cleaner coupling. Bioconjugation lines get more consistent outcomes too, as the electron-withdrawing ester group in our product stabilizes intermediates in some heterocycle-forming reactions. Wherever new molecules arise from the intersection of creativity and necessity, we see our isothiocyanate become a backbone in unexpected routes.
Some customers, especially those moving between vendors, share surprises after switching to our 4-Methoxycarbonylphenyl Isothiocyanate. Those who’ve trialed unsubstituted or para-substituted phenyl variants find the methoxycarbonyl version stays more resistant to unwanted side reactions during scale-up. Labs using this compound in solid-phase applications remark on the cleaner cleavage profiles compared to halogen-substituted isothiocyanates, which can stubbornly hold onto resin supports or degrade more readily. During stability studies, our material maintains integrity in sealed containers for over twelve months, provided standard precautions for light and moisture are respected. Cost per mole sometimes appears higher up-front, but the downstream savings in reaction cleanup and reliable batch-to-batch performance offset those edge costs.
No worthwhile chemical comes without hurdles. Years ago, our production line struggled with controlling reaction exotherms, which threatened to degrade product or create hot spots in the reactor. After feedback from both operators and customers experiencing lot inconsistencies, we invested in distributed temperature monitoring and new jacket controls. If you’re producing aromatic isothiocyanates on multi-kilogram scales, you understand how easily unplanned hot spots can spoil a run. Investment in thermal profiling and predictive maintenance led to a marked drop in lot failures.
Another sticking point involves odor management and air handling in both synthesis and packaging. We overhauled venting and implemented localized extraction at decanting stations—feedback from floor staff played a direct role. By catching stray vapors before they spread, we not only improved workplace comfort but delivered fresher product to customers. Each lesson learned reflected a daily reality, not just a line in the SOP binder.
Over the past decade, sourcing reliable starting materials for methoxycarbonyl-activated aromatics became a recurring theme. Price shocks in raw methyl esters forced us to rethink contracts and stock buffers. Rather than pass abrupt cost spikes to loyal customers, we moved toward higher-volume, long-term contracts with primary suppliers. Regular on-site supplier audits let us flag risks before they result in shortages or quality slides. Competitors sometimes cut costs by downgrading raw material grades, but downstream customers pay the price in inconsistent end products. Our investment in direct sourcing and transparency means nobody has to second-guess what really went into their batch.
Nothing stays sustainable without worker protection and responsible handling. During synthesis, we enforce strict PPE and training practices. The isothiocyanate group, while stable in structure, requires respect; our teams receive annual retraining on both handling and emergency protocols. Spent solvent management and process waste treatment follow actionable targets for VOC reduction, not just written promises. We opted for closed transfer systems in key steps, both to protect operators and to ensure that waste stays separated for proper neutralization. Emission reporting goes straight to regulators and forms part of our annual audit. Our crew takes pride in these numbers, knowing they keep both the site and the local community confident about what leaves our facility.
Even with a well-refined product, science keeps moving. Our technical team, pulled directly from the production line and R&D benches, answers application queries and troubleshooting requests every week. When one client reported delayed reactivity in a novel coupling, our staff reviewed their procedure, then replicated the method at plant scale. After adjusting pH control at a critical step, both sides saw yields climb and troubleshooting time vanished for the next run. Blunt feedback, both positive and critical, comes straight to the desk of our production manager. We treat each issue as a team learning opportunity, then channel these lessons back into process tweaks and QC upgrades.
We back every lot with full traceability records, down to individual operators and source documentation for each precursor. Our technical documentation adapts to the real needs of the advanced synthetic community: key analytical data—NMR, HPLC, GC-MS—comes bundled, not on request. Customers working under GMP or ISO quality systems return for this level of forthrightness. Routine lot analysis exposes nothing hidden: you see what we see, and if results don’t meet expectation, corrective actions happen fast. Our credibility with local inspectors and international customers depends on the same principle: openness with every analytical finding, warts and all.
From startup biotech labs prototyping new therapies to university teams building complex molecular libraries, our 4-Methoxycarbonylphenyl Isothiocyanate finds a place. Research-stage groups value access to recent production dates, not aged inventory. Scale-up groups cite smooth transitions from grams to multi-kilo orders, supported by detailed production histories. We stay tuned to shifts in scientific trends—recent years unlocked fresh opportunities in light-responsive materials and probe synthetic design, spurred by this molecule’s unique reactivity. Staying responsive lets our customers push the field further, rather than fighting supply headwinds or unexplained purity drifts.
The world of specialty chemicals continues evolving. As our clients drive innovation into new realms—smarter therapeutics, greener synthetics, advanced diagnostics—expectations rise for every link in the supply chain. We rise to meet these demands by blending hands-on production experience with honest reporting and direct customer engagement. Each new batch brings us fresh insights, and every customer success feeds energy back into our plant teams. At the heart of all this work sits the real-life performance of our 4-Methoxycarbonylphenyl Isothiocyanate and the craft of producing such a molecule to exacting standards.
No batch ever rides on autopilot. Our commitment to performance extends beyond certificate numbers. Every shift, operators voice concerns, and leadership listens. Waste streams get reanalyzed and streamlined, certifications never age past their shelf date, and storage is managed to maintain material quality through changing seasons and climates. Customers count on the same product characteristics each time because each lot rests on a feedback loop built with shared experience—ours and theirs.
To chemists seeking creative solutions and manufacturers demanding rock-solid supply, the reliability, reactivity, and transparency in every batch of 4-Methoxycarbonylphenyl Isothiocyanate isn't just marketing—it’s the outcome of thousands of decisions made by people who know and care about every step of its journey from synthesis line to laboratory bench.