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3-(Diethylamino)Propyl Isothiocyanate

    • Product Name 3-(Diethylamino)Propyl Isothiocyanate
    • Alias DETA-NCS
    • Einecs 203-748-8
    • 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

    677448

    Name 3-(Diethylamino)Propyl Isothiocyanate
    Cas Number 22239-77-0
    Molecular Formula C8H16N2S
    Molecular Weight 172.29 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 89-91°C at 17 mmHg
    Density 0.987 g/mL at 25°C
    Refractive Index 1.506
    Flash Point 77°C (closed cup)
    Smiles CCN(CC)CCCN=C=S
    Solubility Soluble in organic solvents such as ethanol and chloroform
    Storage Temperature Store at 2-8°C
    Purity Typically ≥98%
    Synonyms N,N-Diethyl-3-aminopropyl isothiocyanate
    Inchi InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3

    As an accredited 3-(Diethylamino)Propyl 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 with screw cap, labeled hazard warnings, 25 grams, "3-(Diethylamino)Propyl Isothiocyanate," manufacturer info, and lot number.
    Shipping 3-(Diethylamino)Propyl Isothiocyanate is typically shipped as a hazardous chemical, requiring secure, leak-proof packaging and clear labeling in accordance with local and international regulations. It should be transported in tightly sealed containers, protected from moisture and incompatible substances, with handling by trained personnel following all relevant safety protocols during transit.
    Storage Store **3-(Diethylamino)propyl isothiocyanate** in a tightly sealed container, in a cool, dry, and well-ventilated area away from heat, moisture, and incompatible substances such as strong oxidizers and acids. Keep away from ignition sources and direct sunlight. Properly label the container, and ensure access is restricted to trained personnel with appropriate chemical handling and personal protective equipment.
    Application of 3-(Diethylamino)Propyl Isothiocyanate

    Applications of 3-(Diethylamino)Propyl Isothiocyanate in Industrial Manufacturing

    3-(Diethylamino)propyl isothiocyanate is widely recognized as an advanced isothiocyanate intermediate, valued in high-precision synthesis for specialty chemical and pharmaceutical manufacturing. As the original producer, we support global customers with tightly specified grades and industrial-scale supply supporting demanding quality and compliance criteria.

    1. Active Pharmaceutical Ingredient (API) Intermediate Synthesis

    This material serves as a key alkylating agent in the synthesis of small-molecule pharmaceutical intermediates, particularly for piperazine and thiazole frameworks. Leading API manufacturers use it in nucleophilic substitution reactions to introduce isothiocyanate moieties, controlling substitution patterns to ensure the selective preparation of targeted molecules. These processes require strict impurity control and traceability throughout multi-step synthesis campaigns.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice (GMP) Guidance for APIs
    • U.S. Food and Drug Administration (FDA) 21 CFR Part 210/211 for finished pharmaceuticals
    • European Pharmacopoeia (Ph. Eur.) and United States Pharmacopoeia (USP) impurity limits for intermediates
    • REACH Registration (EU) for chemical intermediates

    Typical usage ratio

    • 0.85–1.15 molar equivalents relative to nucleophile, depending on target substitution degree and downstream purification requirements

    Downstream process integration

    • Charged in early to mid-stage formation of isothiocyanate-labeled scaffolds
    • Employed prior to critical purification and isolation steps to ensure intermediate quality
    • Monitored by HPLC and GC for trace residuals to meet ICH guidelines

    Final product types

    • Pharmaceutical intermediates with isothiocyanate functionality
    • Final APIs bearing alkylated piperazines, thiazoles, or related scaffolds
    • Analytical reference compounds for regulatory submissions

    2. Specialty Polymer Functionalization

    In the polymer industry, this compound is integrated as a reactive functional group modifier, most notably in the production of cationic or zwitterionic copolymers. Formulators rely on the isothiocyanate group to introduce tailor-made side chains during step-growth or radical polymerization, enabling ion-exchange and solubility tuning. Manufacturers deploy it under controlled conditions to minimize crosslinking and maintain batch reproducibility.

    Industry compliance standards

    • ISO 9001:2015 Quality Management System for polymer processing
    • REACH Annex IV/V Exemption Review for monomers and intermediates
    • FDA 21 CFR 177.2600 for indirect food-contact polymer applications (as applicable)
    • OECD guidelines for testing chemical safety in polymer applications

    Typical usage ratio

    • 0.2–1.0 wt% relative to main monomer feed, adjusted to targeted degree of modification and required polymer properties

    Downstream process integration

    • Addition to polymerization reactor after primary monomer conversion
    • Reaction temperature controlled between 60–90°C for uniform grafting
    • Post-reaction washing and residual isothiocyanate monitoring via FTIR

    Final product types

    • Functionalized ion-exchange resins
    • Hydrophilic or hydrophobic-modified copolymers
    • Surface-modified membranes for filtration and biotechnology

    3. Analytical Reagent Production

    This compound is used as a labeling reagent for derivatization protocols in analytical laboratories, enabling sensitive detection of primary and secondary amines by HPLC, LC-MS, or capillary electrophoresis. Reagent manufacturers combine it in buffered aqueous or organic solution with minimal excess, optimizing labeling selectivity for robust, high-throughput workflows in quality control and clinical laboratories.

    Industry compliance standards

    • ISO/IEC 17025:2017 General requirements for testing and calibration laboratories
    • AOAC International Official Methods of Analysis for derivatization
    • USP <621> Chromatography for pharmaceutical and raw material testing
    • GLP (Good Laboratory Practice) OECD Series principles for analytical reagents

    Typical usage ratio

    • 1.1–1.3 molar equivalents per reactive amine to ensure complete derivatization; excess minimized to reduce reagent blank

    Downstream process integration

    • Introduced post-sample preparation during derivatization step
    • Endpoints monitored by UV-Vis or MS signal, verifying labeling completeness
    • Purification of reaction mixtures prior to formulation into commercial reagent kits

    Final product types

    • Pre-weighted analytical derivatization kits for LC-MS and HPLC
    • Chromatography labeling reagents for proteomic and metabolomic workflows
    • Reference standards for forensic and clinical toxicology analysis

    4. Agrochemical Intermediate Manufacturing

    This material is specified for the synthesis of advanced agrochemical intermediates, particularly in the production of substituted thioureas and carbamates for crop protection and seed treatment agents. Agrochemical plants deploy it in closed-system batch reactors with strict containment, monitoring for environmental and operator safety during nucleophilic addition reactions, and further processing intermediates downstream to finished pesticides after rigorous QC.

    Industry compliance standards

    • FAO/WHO Guidelines for the Registration of Pesticides
    • ISO 17025:2017 for agchem analytical laboratories
    • REACH Pre-registration and Substance Information Exchange Forum (SIEF) for biocidal intermediates
    • OECD Good Laboratory Practice guidelines for environmental safety assessments

    Typical usage ratio

    • 1.0–1.2 molar equivalents per nucleophilic substrate, adjusted by agent structure and desired conversion rate in multi-step syntheses

    Downstream process integration

    • Charged at controlled temperature as alkylating agent during intermediate or prefinal stage synthesis
    • Followed by purification and analytical confirmation (NMR, HPLC)
    • Intermediates forwarded to formulation for wettable powders or concentrates

    Final product types

    • Crop protection intermediates for fungicides and herbicides
    • Seed treatment agents with enhanced targeting moieties
    • Active ingredients in pre-mix pesticide formulations
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    Certification & Compliance
    More Introduction

    Introducing 3-(Diethylamino)Propyl Isothiocyanate: A Chemist’s Approach

    Real-World Experience from the Manufacturing Plant

    Every batch that leaves our reactors carries our reputation and responsibility. Producing 3-(Diethylamino)Propyl Isothiocyanate requires not just skill, but deep knowledge of both organic process chemistry and the demanding standards of end-user sectors. Decades in the specialty chemicals business have shown us how this compound became an important tool for researchers and manufacturers wanting reliable building blocks for modification or further synthesis.

    Naming conventions may sound unwieldy, but here on the plant floor, it’s better known by its CAS number 104-78-9. In practical terms, people ask about its purity, color, and, above all, how smoothly it reacts in downstream processes. Nothing frustrates a formulator more than products with inconsistent isothiocyanate content or unexpected impurities, so we focus on keeping specifications tight, with typical purity above 98% and very low nitrogen-containing byproducts. Our samples come as a clear to faintly yellow liquid, easy to handle in fume hoods or transfer systems.

    Why Chemists Pick This Isothiocyanate

    Demand for 3-(Diethylamino)Propyl Isothiocyanate has risen as researchers look for practical ways to attach functional groups and create new molecular scaffolds. In the lab and in pilot plants, the isothiocyanate group (-N=C=S) delivers versatility. The diethylamino propyl side chain provides a handy anchor: this backbone is valued especially in pharmaceutical intermediate work and for selectively modifying surfaces or biopolymers.

    Synthetic chemists often lean on this molecule to introduce reactivity in heterocycle construction or as a precursor for urea, thiourea and carbamate derivatives. It reacts cleanly with amines and alcohols, making it useful for “click” reactions. We hear from buyers in both academic and industrial settings who use it for solid-phase peptide synthesis or as a crosslinking reagent in polymer chemistry where controlled reactivity is a must.

    Manufacturing Realities

    Making 3-(Diethylamino)Propyl Isothiocyanate at scale means more than following an old textbook route. Isothiocyanate groups are sensitive. Temperature, moisture, and air can lead to side reactions and decomposition. We manage oxidation risk by selecting corrosion-resistant equipment and using inert atmospheres at key steps. Our production protocols call for direct gas-phase phosgene surrogates, followed by efficient isolation and proprietary purification cycles. Sometimes questions come from process engineers wondering about scale-up. They want assurance: will their kilo-order match the behavior of original samples? A central focus for us remains reproducible batch quality, from drum to drum, year after year.

    Impurities matter, especially for groups working in fine chemicals or drug discovery. Even minor traces of secondary amines or hydrolyzed side products can sabotage sensitive downstream syntheses. Our reactors and columns are set up to catch these, and our QC team relies on analytical tools—GC, HPLC, and NMR—rather than the naked eye. These controls keep us honest, and we publish real data with every shipment, not just a summary certificate.

    How This Compound Differs from the Alternatives

    The simple fact is not every isothiocyanate reacts the same way. Some products in the same family, like n-propyl or benzyl isothiocyanate, swap out the side chain, but that changes reactivity, physical handling, and, importantly, safety. Many customers have worked with allyl or ethyl isothiocyanate, but these can be harsher, more volatile, or less selective. Diethylamino substitution on the propyl group improves solubility in organic solvents and helps dampen volatility, making it less prone to unwanted vapor exposure events. Unlike aromatic isothiocyanates, which tend to be more rigid and less reactive with nucleophiles, our molecule keeps things flexible, allowing organic chemists to tune physical properties in the finished product.

    Surface modification applications, especially in bioconjugate chemistry or functional polymer design, favor 3-(Diethylamino)Propyl Isothiocyanate. Peptide synthesis teams point out that the diethylamino group brings extra compatibility, reducing aggregation or nonspecific binding common with more rigid, electron-rich isothiocyanates. If you compare to methyl isothiocyanate—strictly for fumigation in agriculture—the difference is day and night. Chemoselectivity matters; so does personal safety, especially in settings where operator exposure is a concern.

    Applications We’ve Encountered Firsthand

    Every manufacturer claims insight, but actual customer feedback shapes our own process evolution. Our clients in pharma R&D started reporting the benefits of this isothiocyanate in kinase inhibitor scaffolds and bioactive molecule synthesis. The reactivity profile means it performs reliably during rapid N-alkylation steps. Our colleagues in biotechnology use it to modify enzyme surfaces, improving thermostability or tuning substrate affinity. More than once, we’ve supplied batches intended for site-specific dye labeling, antibody-drug conjugate projects, or even nanoparticle surface work.

    Beyond life sciences, composite materials researchers appreciate the dual functionality. The diethylamino group can act as a ligand for metal ions, while the isothiocyanate moiety couples easily to thiol-containing or amine-rich surfaces. This unique chemistry creates opportunities for hybrid materials and functionalized silicones or gels. On the synthesis floor, it dissolves readily in dichloromethane, acetonitrile, and THF, giving formulators freedom to tailor their process fluids.

    One research group told us about its impact on solid-phase supports, highlighting how the propyl linker gives needed flexibility compared with shorter chain isothiocyanates—avoiding steric congestion at the active site. In the world of chemical biology, where conjugation speed and site-selectivity demand consistency, process impurities or reactivity “surprises” can set a project back weeks. Our job is to minimize those disappointments.

    Practical Storage, Safety, and Handling—Our Perspective

    Nobody likes surprises in the warehouse or the fume hood. Isothiocyanates demand respect, so we pack our product in moisture-tight, chemical-resistant containers using nitrogen padding. Storage in a cool, dry spot extends shelf life and reduces byproduct formation. We work with local regulations and provide actual measured toxicological profiles, reminding handlers about personal protective equipment, fume extraction, and emergency protocols in the same way we do at our own plant. Our experience tells us that in academic labs and industry, spills and residual vapors create real risks. Attention to container seals and temperature control pays off over time.

    On the scale-up side, bulk transfers often stress joints, valves, and transfer lines. We’ve learned that certain plastics and elastomers degrade faster in the presence of isothiocyanates, so selecting the correct materials for gaskets and hoses keeps downtime and unexpected leaks to a minimum. For organizations new to this chemistry, our technical team shares these practical lessons, reflecting both our regulatory responsibility and hard-earned insight from a thousand shipments.

    Supporting Teams through Purity and Consistent Quality

    Our own chemists work with annual feedback loops. Routine collaborative review with fellow manufacturers, research labs, and materials developers has led us to fine-tune everything from mixing sequences to cold storage policy. For clients engaged in regulated synthesis—good manufacturing practice or high-throughput medicinal chemistry—documentation and audit readiness become major priorities. Each lot comes backed by real, batch-specific analytical data and certified absence of heavy metals, phthalates, and allergenic residuals. Some of our recurring clients now check for genotoxic impurities. We support these requests with targeted screening, adopting measurement protocols before authorities ever demand them.

    Communication across the supply chain builds mutual understanding. Delays in documentation or confusion around batch consistency can set back an entire campaign, especially for fast-moving research timelines. Our own operations rely on lean scheduling, disciplined raw material selection, and flexible logistics, so we can respond as partners—not just as a remote supplier filling an order sheet.

    Responding to Technical Inquiries from the Field

    Most buyers come with methods and experience, but occasionally get thrown a curveball—an unexpected reaction, ambiguous IR signature, or cloudy solution. Our technical support pulls from years in the trenches: we walk through reaction conditions, suggest alternate solvents, review compatibility with bases, or even propose changes to purification protocols when downstream products won’t crystallize as expected. We know chemists hate running blind, so we ask for specifics, cross-examine methods, and occasionally replicate problems in our pilot lab to pinpoint practical solutions.

    Over the years, this exchange of questions and answers has strengthened our processes. What starts as troubleshooting creates knowledge we feed back into our batch records and handling guides. Sometimes differences in water content—from the ambient air or improperly dried vessels—cause subtle but significant changes in yield or purity. We highlight these “real-world variables” in all our technical summaries, preferring to over-communicate rather than risk burnout in a user’s lab or process suite.

    Investing in Long-Term Value and Customer Trust

    We’ve learned that “good enough” doesn’t win loyalty. Operational downtime, rework cycles, and waste costs pile up quickly when raw materials fall short. Each failure chain in a batch record tells a story, and our job remains to interrupt weak links before they reach our clients’ doors. Specifications are more than paperwork—they reflect our own best standards, in practical, tested language. Quality control is a line-item cost, but over time, the investment pays back tenfold in saved labor, product, and customer goodwill.

    Long-term relationships let us understand client evolving needs, whether they’re starting a new synthetic route or scaling to commercial volumes for a new drug candidate, adhesive, or industrial additive. Routine check-ins, transparent responses to regulatory questions, and willingness to troubleshoot in the field build confidence and foster shared momentum as discovery moves from bench to pilot to market.

    Environmental, Health, and Regulatory Considerations

    Strict standards guide every stage of specialty chemical production, nowhere more than with functionalized isothiocyanates. We keep emissions low with advanced scrubber systems on vent streams and closed-loop solvent recovery setups. By minimizing waste streams up front, we reduce the real, long-term environmental burden. Isothiocyanates, especially with free amine groups, can challenge standard wastewater systems. Our process ensures neutralization, collection, and monitored disposal for off-spec or spent material. Increasingly, clients push us about regulatory filings in their own countries. We keep registration dossiers up to date—not just with data sheets but with detailed toxicology and handling protocols translated into their working languages.

    Regulatory change sweeps through global markets regularly. Now, material safety standards in Europe, China, and North America diverge in specifics even as they converge in intent. As producers, not brokers, we bring substance-level data directly from our internal analytics without the risk of translation error or lost documentation. This reduces wasted time during compliance audits and helps developers keep projects on track. Being “audit-ready” is as much a daily discipline as any technical achievement.

    Perspectives on Market Evolution and Innovation

    Shifts in technology, especially in drug discovery, polymer design, and biomaterials, drive changes in demand for reactive intermediates like 3-(Diethylamino)Propyl Isothiocyanate. New trends—site-specific labeling in protein chemistry, advanced nanomaterial surface treatments, and ever-higher purity requirements—shape the way we engineer both processes and packaging. Our R&D team tracks patent filings, competitor launches, and advances in complementary areas like flow chemistry and solid-phase automation. Sometimes, a single innovative formula in Japan, Germany, or the US sets off new production protocols that ripple through the supply chain.

    For us, this means staying ahead of the curve with pilot-scale experiments, quick-turn audits on incoming design requests, and constant engagement with safety science and regulatory compliance. Investment in greener syntheses and solvent minimization, alongside real-time batch monitoring, now forms the backbone of future process planning. The end goal remains constant: to provide safe, clean, high-reactivity building blocks that help our customers do more with less hassle, less waste, and fewer unpleasant surprises down the line.

    Closing Thoughts on 3-(Diethylamino)Propyl Isothiocyanate Production

    Over years of hands-on manufacturing experience, we’ve found that attention to technical, environmental, and customer-driven details sets true producers apart. 3-(Diethylamino)Propyl Isothiocyanate speaks to the evolution of chemical synthesis, where targeted reactivity, manageable volatility, and surface-friendly side chains open doors for both scientific discovery and industrial progress. Our daily practice centers on bridging innovation with reliability, so that every bottle or drum we ship carries not just a label, but all the practical knowledge and trust that comes from long-term commitment in the chemical manufacturing world.