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3-Benzyloxyphenyl Isothiocyanate

    • Product Name 3-Benzyloxyphenyl Isothiocyanate
    • Alias 3-Benzyloxyphenyl isothiocyanate
    • Einecs 631-888-0
    • 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

    850136

    Cas Number 16198-02-0
    Chemical Name 3-Benzyloxyphenyl Isothiocyanate
    Molecular Formula C14H11NOS
    Molecular Weight 241.31
    Appearance Off-white to light yellow solid
    Melting Point 80-84°C
    Solubility Slightly soluble in organic solvents (e.g., DMSO, ethanol)
    Purity Typically ≥98%
    Storage Temperature Store at 2-8°C
    Smiles N=C=S c1cccc(OCC2=CC=CC=C2)c1
    Synonyms 3-(Benzyloxy)phenyl isothiocyanate

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

    Packing & Storage
    Packing Amber glass bottle, 25 grams, sealed with a screw cap, labeled with chemical name, hazard symbols, and safety handling instructions.
    Shipping 3-Benzyloxyphenyl Isothiocyanate is shipped in sealed, chemical-resistant containers to ensure safety and prevent contamination. It is transported under ambient conditions, with appropriate labeling and documentation. Standard regulations for shipping hazardous organic chemicals are followed, including proper handling instructions and hazard identification, to ensure compliance and safe delivery to the destination.
    Storage Store 3-Benzyloxyphenyl Isothiocyanate in a tightly sealed container, protected from light, moisture, and incompatible materials such as strong acids and bases. Keep it in a cool, dry, and well-ventilated area, preferably in a chemical fume hood. Avoid exposure to air and direct sunlight. Label the container clearly and follow all relevant safety and handling protocols.
    Application of 3-Benzyloxyphenyl Isothiocyanate

    Applications of 3-Benzyloxyphenyl Isothiocyanate in Industrial Manufacturing

    3-Benzyloxyphenyl Isothiocyanate serves as a specialized intermediate in fine chemical and advanced materials industries. Through direct engagement with our partners, we have mapped its applied value across several critical manufacturing scenarios, enabling consistent quality and reliable integration downstream. We focus on segments where its unique properties fulfill clearly defined technical functions, contributing to regulatory-compliant, scalable production workflows.

    1. Active Pharmaceutical Ingredient (API) Synthesis for Kinase Inhibitors

    In pharmaceutical manufacturing, 3-Benzyloxyphenyl Isothiocyanate enables highly selective thiourea or urea formation steps, particularly during the construction of small-molecule kinase inhibitor scaffolds. Its aromatic isothiocyanate group reacts with various amine-bearing intermediates under controlled conditions, facilitating tailored heterocycle synthesis while maintaining stringent purity profiles for clinical candidates.

    Industry compliance standards

    • ICH Q7: Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP, EP, and JP monographs (applicable to substance and process)
    • 21 CFR Part 210/211: cGMP in Manufacturing, Processing, Packaging, or Holding of Drugs
    • FDA Guidance for Industry: Process Validation

    Typical usage ratio

    • 0.8–1.1 molar equivalents relative to the target amine reactant, optimized for stepwise batch or continuous synthesis;
    • Adjustment depends on targeted impurity thresholds and excess reagent control in the final stage purification.

    Downstream process integration

    • Charged during mid- or late-stage route steps for constructing isothiourea or thiourea pharmacophore units;
    • Reagent dosing occurs in solvent-based, temperature-monitored reactors, with direct transfer to work-up and crystallization units.

    Final product types

    • Active pharmaceutical ingredients for oncology and immunology small molecule drugs
    • Research and preclinical trial substance batches supplied for formulation screening

    2. Custom Agrochemical Intermediate Manufacturing

    Fine agrochemical producers utilize this intermediate during the staged assembly of phenyl-substituted thiourea derivatives. The coupling step, typically via a nucleophilic addition to facilitate the introduction of plant bioactives, maintains strict regulatory traceability. Product developers value its controlled reactivity and clean conversion for new-generation fungicide and herbicide molecular scaffolds.

    Industry compliance standards

    • ISO 9001:2015 for chemical production management
    • FAO and WHO Specifications for Pesticides
    • REACH (EC/1907/2006) registration and reporting for chemical substances entering the European Union
    • China GB Standards for Technical Material and Pesticide Products

    Typical usage ratio

    • 1.0–1.2 molar equivalents per nucleophile;
    • Ratio varies depending on batch size, desired yield, and intermediate isolation efficiency in downstream separation.

    Downstream process integration

    • Direct input in the preparation of phenyl-thiourea segments, usually after the phenol group protection step;
    • Inclusion occurs in jacketed pressure vessels, followed by in-situ work-up and extraction cycles.

    Final product types

    • Fungicide technical concentrates (TC)
    • Herbicide active ingredient intermediates for further synthesis
    • Formulated plant protection agents for field testing

    3. Liquid Crystal Monomer Precursor for Electronic Display Materials

    Manufacturers of advanced electronic display materials employ this raw material as a customizable phenyl unit source during the multi-step buildup of specific liquid crystal monomers. Its protected aromatic ether and isothiocyanate functional groups allow for high-fidelity copolymerization and structural tuning, supporting stringent batch-to-batch consistency essential to thin-film transistor and LCD performance.

    Industry compliance standards

    • IEC 61249-2-40: Materials for Printed Boards and Other Interconnecting Structures
    • RoHS Directive (2011/65/EU) for hazardous substances
    • ISO 14001: Environmental Management Systems
    • Corporate proprietary quality standards for advanced materials supply chain

    Typical usage ratio

    • 0.5–0.9 molar equivalents per liquid crystal-forming unit;
    • Specific ratio based on required mesophase transition temperatures and purity requirements in monomer batches.

    Downstream process integration

    • Charged during the preparation of the functional LC monomer stage following etherification;
    • Process occurs in glass or stainless steel reactors under nitrogen blanket, with sequential distillation and vacuum drying.

    Final product types

    • Liquid crystal mixture components for TFT-LCD panels
    • Polymerizable liquid crystal monomer additives
    • Display-grade functional films for screen manufacturing

    4. Synthesis of Specialty Dyes for Analytical and Biological Staining Applications

    Producers of high-purity specialty dyes select this isothiocyanate-bearing compound for the covalent introduction of functionalized phenyl groups during targeted dye synthesis. Its integration ensures chromophore customization for both enhanced spectral characteristics and improved substrate attachment, crucial for in-vitro diagnostic (IVD) and histological workflows.

    Industry compliance standards

    • ISO 13485:2016 for Medical Devices – Quality Management applicable to IVD chemicals
    • EN 71-3: Safety of Toys – Migration of certain elements (for biological dyes)
    • OECD Guidelines for the Testing of Chemicals for environmental fate
    • Manufacturer-specific quality control for dye purity and batch certification

    Typical usage ratio

    • 0.6–0.95 molar equivalents to amine-reactive dye backbone;
    • Ratio tailored in pilot batches to maximize conjugation efficiency and target dye solubility profiles.

    Downstream process integration

    • Wintering after intermediate chromophore formation in multi-step synthesis sequences;
    • Incorporated via controlled feed during the late-stage dye assembly in solvent or aqueous media systems.

    Final product types

    • Diagnostic staining reagents for pathology labs
    • Affinity dyes for protein labeling kits
    • Cell imaging probes for research instrumentation
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    Certification & Compliance
    More Introduction

    3-Benzyloxyphenyl Isothiocyanate: A Reliable Choice in Chemical Synthesis

    An Experienced Manufacturer's View on a Key Reagent

    Decades of chemical production have taught us that certain scaffold molecules get a reputation for performance in labs and on the shop floor alike. Our experience with 3-Benzyloxyphenyl Isothiocyanate proves this reputation is earned. We have shaped our process to keep purity and batch consistency high—not simply to check quality boxes, but because the fine chemical trade runs on reliability and attention to detail. Our teams know the challenges of handling and storing sensitive isothiocyanates, and we have built our operations around these needs with care at every stage.

    Model, Batch, and Analytical Confidence

    In our facility, 3-Benzyloxyphenyl Isothiocyanate follows a single-reference production stream, documented with each lot. The product appears as an off-white to pale yellow crystalline solid, which helps users spot any off-color impurities. GC and NMR analysis provide data well above 98% purity, a level we reach through a robust, scale-up-friendly synthesis. This isn’t just a technical win: we depend on unambiguous analytics so researchers and industrial partners don’t have doubts about their critical processes. Spec sheets include full chromatograms and spectra for batch traceability.

    Targets and Use: Not Just Another Isothiocyanate

    Chemists gravitate to 3-Benzyloxyphenyl Isothiocyanate for a good reason. The unique 3-benzyloxy substitution creates different possibilities than an unsubstituted phenyl isothiocyanate or its para or ortho siblings. One sees its benzyloxy handle serving as a point of further functionalization. The product acts as a versatile partner in medicinal chemistry, agrochemical screening, and polymer research. Customers frequently share feedback about its suitability for constructing advanced heterocycles. We’ve seen robust yields in thiazole, isothiazole, and benzothiazole syntheses, particularly when working with electron-rich amines or in transition-metal catalyzed reactions.

    Customer Feedback and Lab Insights

    Chemists often comment on the solid’s consistent melting range and its forgiving storage profile compared to less stable isothiocyanates. Many are drawn to the benzyloxy’s solubility advantages in organic solvents, which can make downstream purification easier. In one customer's medicinal project, the meta-benzyloxy orientation conferred a different binding selectivity than the para equivalent, highlighting the impact of subtle substitution patterns. Researchers value having detailed traceability; if a batch ever falls outside its purity specification, we promptly communicate, recall, and re-supply.

    Production Challenges That Shape Our Product

    Manufacturing 3-Benzyloxyphenyl Isothiocyanate is not a hands-off operation. The isothiocyanate group has a reputation for reactivity that extends all the way back to our precursor selection. We source benzyloxyphenyl precursors from vetted upstream partners, then follow optimized protocols to avoid trace bis-products that might compromise synthesis outcomes further down the line. Over time, our batch records documented how minor water ingress in earlier stages could increase impurity profiles, teaching our process development chemists to maintain humidity below a set threshold. Experiments at several hundreds of kilograms’ scale revealed that using specific grades of base and isothiocyanate transfer reagents prevented stubborn, hard-to-remove byproducts.

    No Substitute for Consistency

    Laboratory and industrial customers tell us that not all isothiocyanates behave similarly in terms of shelf stability, odor profile, or downstream cleanup. 3-Benzyloxyphenyl Isothiocyanate offers an approachable balance due to the benzyloxy group’s contribution to stability. Our in-process QA includes periodic re-testing after storage to ensure no decomposition or color formation over time. Storage in amber bottles with vapor-tight closures, in a dry–inert atmosphere, preserves the material’s integrity for months, which benefits scale-up projects and those with unpredictable procurement cycles.

    The Edge Over Close Chemical Relatives

    The fine structure–activity relationships in isothiocyanate chemistry drive preferences. When researchers compare unsubstituted phenyl isothiocyanate or p-benzyloxyphenyl isothiocyanate with our 3-benzyloxy variant, they notice marked differences. Meta-substitution alters physicochemical properties, affecting both solubility in polar organics and reaction kinetics with nucleophilic reagents. One customer found their project’s final pharmaceutical intermediate had greater product recovery from column purification, simply by switching from para to meta substitution. These small details, derived from real-world projects, shape how new derivatives get made and selected today.

    Supporting Real Projects, Not Hypothetical Ones

    As a manufacturer, we see the granular challenges end users face when moving from gram-scale discovery to kilogram production or pilot runs. We have sat across the table from chemists frustrated by color or odor contamination, or the hassle of multiple solvent washes after incomplete reactions with cheaper, less pure isothiocyanate sources. Our own R&D team has run the same reactions, so we know how much time and solvent can be wasted cleaning up side-products from poorly characterized batches. Every step of our process—from real-time monitoring of exotherms, to custom drying cycles—reflects a desire to help customers avoid such headaches.

    Shipping, Storage, and Handling: Practical Knowledge

    Bulk users want product to arrive in stable form: uncontaminated, no clumping, with no discernible off-odors. We dispatch all shipments in full compliance with hazardous goods regulations, packed in lined, airtight containers, with desiccant for longer hauls. Short transit minimizes chances for decomposition. Small-batch users often comment on the repeatability of melting point and color, even after months on the shelf. As chemists ourselves, we appreciate that every prevented redissolving or repurification saves resources.

    Environmental Performance

    As industrial chemical producers, we factor process waste and potential emissions into each batch. Our synthesis of 3-Benzyloxyphenyl Isothiocyanate leaves little residual byproduct or heavy metal trace because we use catalytic, not stoichiometric, metal reagents. Solvent selection always tracks with recovery and recycling, never simply disposal. Some customers have remarked that our reaction protocols cut aqueous waste by more than half compared to other sources. We are not just selling a reagent; we are part of the wider movement toward more responsible chemistry—less waste, lower carbon, and transparent accountability.

    Supporting Data: Purity and Traceability

    Over years of manufacturing, statistics have shown batch deviations remain under tight control. In five years, out-of-spec batches comprise less than 2% of total output, and those are pulled before leaving our facility. Every package ships with COA and a spectral data package, including NMR and GC/LC traces for full auditability. Our customers, many of whom face demanding pharma and regulatory audits, rely on this information to prove their own process compliance. No batch moves without these protocols.

    Feedback Loop With Customers

    One of the things we cherish as manufacturers is direct feedback. Conversations with process development teams often focus on more than price; scale-up chemists want to know how our 3-benzyloxy variant will hold up under aggressive conditions, or whether solubility profiles will match those from smaller runs. Their feedback steers our process refinements. On more than one occasion, we have been alerted by a customer to a rare impurity not caught by standard chiral HPLC; that dialogue led us to tweak our analytics so those issues will not recur, enhancing the trust that underpins long-term partnerships.

    Difference from Commoditized Isothiocyanates

    Lumping 3-Benzyloxyphenyl Isothiocyanate in with cheaper, bulk phenyl isothiocyanate sources misses its strengths. This product, with its specific meta-benzyloxy group, creates less volatility, both figuratively and literally. Handling minimizes operator exposure to noxious vapors, and materials safety data reflect customization to protect the end user’s lab environment. The bench chemists working in fast-turnaround environments value this, noting fewer complaints about room odor or eye irritation than with some closer relatives. Some project leads have told us that only with our 3-benzyloxyphenyl variant did their late-stage fluorination strategies yield the desired selectivity—a pattern not repeated with para or unsubstituted analogs.

    Global Distribution Without Dilution of Quality

    Distribution brings its own set of risks. We have learned that product loses quality if passed through too many hands. Direct shipment from our facility ensures the same care that went into synthesis extends through delivery. Cold-chain or temperature-controlled logistics are available for sensitive users, but standard shipments typically arrive without complaints about clumping or signs of decomposition. Customers with multinational reach value being able to draw from the same quality pool, receiving identical product across sites. This reinforces global project timelines and simplifies regulatory filings.

    Role in Research and Scale-Up Projects

    Colleagues at pharmaceutical and biotech partners, as well as at university and public research laboratories, often require a trusted source of unusual isothiocyanates for screening programs. Our product finds use in routine coupling, high-throughput screening, and late-stage functionalization projects. Its reliability and scaleability mean less time troubleshooting reagent-source variability, and more time pursuing new molecular scaffolds. Researchers developing new fungicides or insecticides appreciate how the product’s consistent reactivity translates into more reproducible structure–activity studies.

    Custom Solutions Based on Real Needs

    Bulk purchasers sometimes ask for bespoke grades, filtered or micronized to suit particular processing conditions. Our facility’s flexibility comes not just from a desire to offer something “made to order” but from repeated experience working with high-shear mixing, solution-phase or solid-phase applications. Customers running continuous-flow syntheses benefit from consistent particle size and flowability. Our teams have reformulated drying cycles and paired packaging with controlled atmosphere options to support these requirements.

    Analytical and QC Approach: Data Speaks Loudest

    Our clients are driven by data, so our batch QC is built on traceable, quantifiable analytics. We record HPLC, GC-MS, FTIR, and 1H/13C NMR for representative samples and retain archives for every lot. Should any product deviate from stated values—even by fractions of a percent—it is set aside for troubleshooting, not customer shipment. This meticulous approach has built long-term business relationships and reduced troubleshooting on our customer’s production lines. Analytics are kept transparent, and customers have direct access to technical files.

    Long-Term Storage Performance: Listening to the End Users

    Every isothiocyanate has a shelf life to observe, but the stability of 3-Benzyloxyphenyl Isothiocyanate in properly sealed containers extends project flexibility for industrial users. Researchers have returned opened bottles to storage for weeks, and the product retains its physical and chemical properties. Our audits include accelerated stability data, and periodic endpoint re-analysis ensures continued compliance with published specs.

    Continuous Improvement: From Plant Floor to End User

    Our facility team meets regularly with the R&D group to analyze feedback and batch performance statistics. Adjustments to process parameters—like pressure, solvent ratios, or quenching conditions—reflect real-world usage data gathered from our broad customer base. If a novel challenge arises, such as an unexpected impurity triggered by a new amine substrate, we adapt procedures. This loop from plant floor to application scientist sustains continuous quality growth.

    Regulatory Support as a Value-Add, Not a Slogan

    Working with regulated industries has honed our documentation practices. We provide all regulatory background needed for pharma or agchem registration purposes: lot trace data, impurity profiles, and safety assessments. With increased attention on emerging contaminants and regulatory scrutiny, our robust data package has helped customers move their innovations through internal and governmental reviews. Strong documentation reduces project bottlenecks.

    Commitment to Green Chemistry: Reducing Impact, Improving Processes

    Years of producing isothiocyanates have taught us that success is as much about what is left out as what goes in. Adhering to green chemistry principles, our plant operates closed-loop waste management and maximal solvent recovery. Alternative, less hazardous reagents are preferred wherever compatible. Investing in more efficient syntheses and process safety not only shrinks our footprint—it shortens supply lead times and reduces price volatility from raw material surges.

    Customer Collaboration: More Than a Transaction

    We see our role as an active partner, not just a supplier. Complex multi-step syntheses in pharma and material science thrive on personal attention and responsive technical support. When a project team hits a stumbling block—be it an unanticipated side-product or analytical ambiguity—our technical support is available to troubleshoot, propose alternate reaction conditions, or suggest purification routes based on our experience. Partnerships deepen with these collaborations, ensuring that challenges become shared solutions.

    Conclusion: Why Chemists Rely on Our 3-Benzyloxyphenyl Isothiocyanate

    The fine chemical marketplace relies on trust founded in evidence, not marketing flourish. Our 3-Benzyloxyphenyl Isothiocyanate reflects a commitment to practical performance: batches are consistent, traceable, and clean; the product maintains integrity across applications and geographies; and our production and documentation reflect openness and investment in solving end-user problems. These combine to make this isothiocyanate a staple in modern organic synthesis, building better molecules, more efficiently, with dependable support behind every shipment.