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3-Nitrophenyl Isothiocyanate

    • Product Name 3-Nitrophenyl Isothiocyanate
    • Alias 3-Nitro-1-isothiocyanatobenzene
    • Einecs 221-098-3
    • 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

    382337

    Chemicalname 3-Nitrophenyl Isothiocyanate
    Casnumber 1900-59-8
    Molecularformula C7H4N2O2S
    Molarmass 180.19 g/mol
    Appearance Yellow to orange crystalline powder
    Meltingpoint 76-78°C
    Density 1.41 g/cm³
    Solubility Slightly soluble in water, soluble in organic solvents
    Storagetemperature Store at 2-8°C
    Purity Typically ≥98%
    Synonyms m-Nitrophenyl isothiocyanate
    Ecnumber 217-366-9
    Smiles C1=CC(=CC(=C1)N=C=S)[N+](=O)[O-]
    Inchikey GSVXEQQVKLHTLQ-UHFFFAOYSA-N

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

    Packing & Storage
    Packing 3-Nitrophenyl Isothiocyanate, 5g: Supplied in an amber glass bottle with screw cap, labeled with chemical name, hazard symbols, and batch information.
    Shipping 3-Nitrophenyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture, light, and heat. It is handled as a hazardous material and packed according to international regulations for chemicals, typically using UN-approved packaging. Transport documentation includes safety data and hazard classification to ensure safe and compliant delivery.
    Storage 3-Nitrophenyl Isothiocyanate should be stored in a cool, dry, and well-ventilated area, away from light and sources of ignition. Keep the container tightly sealed and store away from incompatible substances such as strong oxidizers and acids. Recommended storage temperature is 2–8°C. Ensure proper labeling and secondary containment to prevent leaks or spills. Use appropriate personal protective equipment when handling.
    Application of 3-Nitrophenyl Isothiocyanate

    Applications of 3-Nitrophenyl Isothiocyanate in Industrial Manufacturing

    3-Nitrophenyl Isothiocyanate is an essential reagent widely utilized in advanced segments of the chemical, pharmaceutical, and analytical industries. The following sections detail its established roles in specific downstream sectors, with data reflecting real operational standards, formulation ranges, process inclusion points, and typical final goods encountered by professionals using this raw material at scale.

    1. Peptide and Protein Sequencing by Edman Degradation

    Analytical laboratories and specialized biotech manufacturers apply this reagent during the Edman degradation cycle for protein and peptide N-terminal sequencing. Its nitro-substituted structure provides increased sensitivity for UV detection, facilitating precise automation in amino acid analysis platforms. This application demands stringent adherence to laboratory standards and integration directly in automated sequencers.

    Industry compliance standards

    • USP General Chapter <1057> Analytical Instrument Qualification
    • EN ISO/IEC 17025 for laboratory use
    • FDA 21 CFR Part 211 (cGMP for laboratories in pharmaceutical development)
    • OECD Guidelines for the Testing of Chemicals Section 1, 1.42—Amino Acid Sequencing

    Typical usage ratio

    • 0.25–1.5 mg per nanomole of peptide sample; adjusted according to sequencing sensitivity and peptide chain length

    Downstream process integration

    • Directly added to the sample chamber in the Edman degradation apparatus after sample immobilization; followed by automated cyclic washing and derivatization

    Final product types

    • Sequenced peptides and polypeptides for pharmaceutical R&D
    • Reference standards for proteomics
    • Amino acid sequence reports for biologics quality control
    • Validated data sets for contract research organizations

    2. Pharmaceutical Intermediate Synthesis (Active Compound Development)

    Process chemists in API development select this isothiocyanate for introducing isothiocyanate groups during heterocyclic compound synthesis, particularly for molecules designed as kinase inhibitors, specialty antivirals, or enzyme modulator classes. The nitro group modulates electron distribution, supporting regioselective functionalization under controlled conditions.

    Industry compliance standards

    • ICH Q7A GMP for Active Pharmaceutical Ingredients
    • EU Regulation (EC) No 1907/2006 (REACH)—intermediates
    • Ph. Eur. 5.1.1 (European Pharmacopoeia: Starting Materials)
    • US FDA 21 CFR 210/211 (APIs and intermediates)

    Typical usage ratio

    • 0.6–1.2 molar equivalents per target amine or alcohol group, optimized by yield and downstream purification strategy

    Downstream process integration

    • Reacted in situ with amine building blocks during condensation steps of multi-stage API synthesis; intermediate undergoes further transformation via reduction, cyclization, or cross-coupling

    Final product types

    • Pharmaceutical intermediates for oncology APIs
    • Nitrophenyl-based enzyme inhibitors
    • Research compounds for SAR (Structure-Activity Relationship) studies
    • Custom heterocyclic scaffolds for small molecule pipelines

    3. Chromatographic Derivatization Reagent Production

    Companies manufacturing HPLC or capillary electrophoresis kits use the material for derivatizing amino acids, short peptides, and specific nucleophiles, enhancing chromatogram resolution and detection accuracy. The nitro-functionalized reagent produces derivatives with strong UV absorbance, aligning with advances in detectable labeling and trace analysis workflows for quality assurance or forensic labs.

    Industry compliance standards

    • ISO 13485 (Analytical reagents for in vitro diagnostics manufacturing)
    • AOAC INTERNATIONAL Guidelines for Analytical Methods
    • 21 CFR Part 820 for diagnostic reagent components
    • European Pharmacopoeia 2.2.46 (Chromatographic Techniques)

    Typical usage ratio

    • 1.0–2.0 molar equivalents relative to substrate; quantity tuned for matrix complexity and analyte concentration

    Downstream process integration

    • Formulated into ready-to-use derivatization vials for automated HPLC/electrophoresis systems; incorporated in buffer blends for kit manufacturing; packaged under inert atmosphere to protect reactivity

    Final product types

    • HPLC derivatization kits for specialty amino acid analysis
    • Capillary electrophoresis reagent sets
    • Pre-loaded sampling devices for forensic/clinical laboratories
    • Internal standards for analytical service providers

    4. Fine Chemical Building Block for Specialty Agrochemical R&D

    Research divisions in crop protection innovation employ this compound for synthesizing isothiocyanate-functionalized intermediates, vital in the structure-modification of selective herbicides and nematicides. Its electron-withdrawing properties permit targeted incorporation into aromatic backbones during lead optimization studies, followed by scaling for pilot toxicology evaluation batches.

    Industry compliance standards

    • OECD Principles of GLP for chemical research
    • ISO 9001:2015 for agrochemical R&D material traceability
    • Directive 2001/83/EC relating to plant protection product testing
    • EPA Test Order and TSCA Section 5 (US toxicity testing requirements for new chemical intermediates)

    Typical usage ratio

    • 0.9–1.3 molar equivalents related to the target synthesis pathway; rates determined by the specific mode of herbicidal action or structure-activity optimization screen

    Downstream process integration

    • Introduced during diversification/library synthesis as an electrophilic partner; intermediates undergo subsequent methylation or ring closure in multi-step agrochemical synthesis platforms

    Final product types

    • Precursor molecules for new selective herbicides
    • Intermediates for phenylisothiocyanate-based nematicides
    • Fine chemical samples for regulatory eco-toxicity trials
    • Molecular probes for mode-of-action research in plant science
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    Certification & Compliance
    More Introduction

    3-Nitrophenyl Isothiocyanate: An Insider’s Introduction from the Manufacturer

    Crafting 3-Nitrophenyl Isothiocyanate from the Source

    Today, let’s talk about a compound that has earned its place in laboratories across the globe: 3-Nitrophenyl Isothiocyanate. As the team engaged from the start—raw material, synthesis, purification, all the way to packaging—there is a responsibility to explain what makes this compound work as well as it does, and why clients keep seeking it for research and industrial needs.

    Our experience with 3-Nitrophenyl Isothiocyanate (CAS 22942-07-8, molecular formula C7H4N2O2S) goes back decades. This compound isn’t a one-size-fits-all product tossed off an assembly line. Every batch tells a story of raw material quality, handling discipline, temperature control, and—most importantly—an awareness of how even minor impurities or variations can throw off a research protocol or an entire production cycle.

    Focusing on the Chemistry: Why Purity and Consistency Matter

    Chemists in the field know that even a well-synthesized compound can pose headaches if contamination or repeat variance shows up. Each batch of our 3-Nitrophenyl Isothiocyanate gets high-performance liquid chromatography (HPLC) profiling and melting point confirmation. Most orders demand purity above 98%. Results show that proper solvent selection during final wash phases directly cuts down on trace aromatic residues and sulfur byproducts.

    Some clients have shared stories: batches from inconsistent origins led to inconclusive assays or ghost peaks during spectrometric analysis. Delivering 3-Nitrophenyl Isothiocyanate that keeps clean spectra means we stick with a strict line of intermediates and reactants, monitored in-house. Day in and day out, research institutions or pharmaceutical labs ask for analytical documentation, chromatograms, and retention time data because mistakes in the lab bench cost time and credibility.

    Where 3-Nitrophenyl Isothiocyanate Fits: Uses and Applications That Matter

    This molecule’s signature – the combination of nitro and isothiocyanate groups on a phenyl ring – draws demand for solid-phase peptide synthesis (SPPS), derivatization in chromatographic amino acid analysis, and various custom research projects. Let’s break that down based on what R&D departments actually do.

    For peptide mapping, 3-Nitrophenyl Isothiocyanate attaches to terminal amine groups, creating stable derivatives. Technicians need reproducible reactivity. If substituent positions or impurities shift, the chromatographic retention times wander, making quantitation shaky. That’s why we use controlled temperature cycling for isothiocyanation steps, leading to predictable reactivity from batch to batch.

    Biochemists examining protein sequencing processes often complain when isothiocyanate reagents decompose from moisture absorption or air exposure. Experience taught us that moisture control right through to the packaging room makes more difference than any post-shipment stabilization. This is the lived edge in the manufacturing process. Each moisture-tight amber bottle, purged with inert nitrogen, limits product changes beyond the warehouse, removing headaches once the bottle lands bench-side in New York or Shanghai.

    Outside protein chemistry, some teams call on this molecule for synthetic intermediates in pharmaceuticals and agrochemical development. Here, selectivity becomes a selling point. The nitro group at the meta-position gives sharper electron density, which translates to more predictable reactions during nucleophilic substitution. Counterparts like 4-Nitrophenyl Isothiocyanate do not offer the same well-behaved profile in certain formation reactions—a point that chemists running screens appreciate when troubleshooting a stubborn step.

    Many researchers compare 3-Nitrophenyl Isothiocyanate with phenyl isothiocyanate or 2-nitro analogs. Subtle differences in physical properties become critical. The ortho version can suffer from steric interference; para tends to give less sensitivity for chromophore detection. The 3-nitro arrangement produces cleaner derivatization by limiting side-chain interference, proven on many HPLC and LC-MS systems in peer-reviewed studies. Analytical chemists respect that a reliable peak gives unambiguous data at the end of a twelve-hour run.

    Lessons Learned Over Years of Manufacturing

    Anyone who’s ever run a kilo-scale reaction of aryl isothiocyanate knows the perils of exotherm control. We’ve engineered batch kettles for even cooling and continuous agitation, so spot overheating (or cold spots) won’t damage sensitive intermediates. Early on, lesson was learned: poor pH monitoring during reaction quenching can lead to loss of yield and too many tars in the mother liquor. Adjustments ensured every batch gets pilot-tested before mainstream run; no academic paper or theoretical shortcut substitutes for hands-in-the-mix experience on the shop floor.

    Filtered product works better than product quickly thrown through a basic mesh. Minute solid impurities settle as haze even when HPLC says purity crosses the threshold. Chromatography columns clog; instrument downtime follows. We devote time to repeated filtration and use calibrated particle sizers, so each package brings less risk. It is not only a matter of numbers—it’s the outcome of learning what brings phone calls back and what drives customers away.

    Every response from a research scientist that says, “Your product let me pinpoint low-level peptides with no drift,” speaks louder than any spec sheet. Teams on the production floor remember these bits of feedback at every shift meeting.

    Choosing 3-Nitrophenyl Isothiocyanate Over Others: Not Just a Formula

    Some in the market argue that any isothiocyanate will do for basic derivatization work. But not every variant serves advanced protocols. The 3-nitro configuration creates a unique electron distribution; it reacts with amines to form urea-linked derivatives with high UV absorption, perfect for tracking with straightforward detection systems. If you rely on older phenyl isothiocyanate derivatives, results can be lower in yield and tougher to interpret. The 3-nitro substitution avoids off-target labeling, especially useful when tracking low-abundance species in biological samples.

    There’s talk about cost savings with cheaper, off-grade materials. Price always enters the conversation, but in our experience with pharma and life sciences, quality trumps small savings. Failed syntheses and questionable results chew up money. As a manufacturer, we hear the impact on inventory turns and project timelines—saving a few percent on starting material means nothing if it drags timelines by a week.

    Meeting the Realities of Large-Scale and Small-Scale Demand

    Research divisions at multinational drug companies sometimes need gram lots for pilot studies; stages progress, and procurement jumps to kilo-quantities or more for preclinical batches. Each scale comes with different problems. Scaling up the synthesis from pilot to production uncovered issues nobody predicted in early lab notes: cooling time underestimated, solvent recovery system insufficient, filtration clog that risked a whole batch.

    We adjusted by separating pilot and production suites, complete with their own fume management and waste handling systems. This change improved the yield during scale-up and kept regulatory inspectors happy on unannounced visits. Small volumes for academic or start-up use get matched with flexible packaging, while contract customers demand technical traceability—batch chromatograms and historical performance summaries included with each delivery.

    Facing Environmental and Handling Concerns

    People working every day with 3-Nitrophenyl Isothiocyanate confront issues often glossed over in sales literature. This compound will irritate skin, eyes, and mucous membranes right out of the bottle. Few talk about the raw edge of vapor exposure; we make sure employees work under captured hoods, wearing nitrile gloves and splash-resistant goggles at every step from synthesis to filling.

    We’ve taken an active approach to solvent recycling in the isothiocyanation phase, reclaiming aromatic solvents from waste storage. It isn’t just about cost—tightening up recycling targets means less atmospheric venting, lower emissions paperwork, and a safer environment for on-shift personnel. We continue research with a local university group on greener methods, exploring less toxic alternatives that cut down on dangerous byproducts in aqueous waste.

    End-users often ask about storage conditions and shelf life. Since the isothiocyanate group reacts with water vapor in air, we ship in airtight bottles with desiccant packs. Stories come back from customers running time-course studies: product stored in humid rooms decayed within weeks, throwing off reproducibility. Our bottles ship in moisture-guard cartons with humidity indicators, offering additional feedback for busy labs.

    Supporting the User Beyond the Shipment

    People often underestimate the frustration that can arise when technical troubleshooting leads nowhere. Every shipment leaves with direct line access to technical staff on both the manufacturing and R&D side. No salesman shields, no endless phone queues—end users correspond with the chemists who made the compound, not just order handlers. Requests for documentation or guidance on specific derivatization are fielded around the clock. This ongoing service has made for long-term collaborations, not just one-off orders.

    Troubleshooting often reveals process differences, not just product variables. For example, customers have reported peak broadening in HPLC trace—even when product purity meets the mark. Sharing experience, we’ve seen that small changes in injection solvent or column temperature cause these results. Instead of responding with a generic “meets spec” answer, our staff work side by side, often re-creating their protocols and solving the root issue. Dedicated chemists make for serious advantage, because only the people who made the batch can translate the nuances of its behavior.

    Often, large distributors or resellers don’t understand the chemistry of what they’re selling. When someone picks up the phone or emails us directly, concerns about consignment age, potential degradation, or minor batch differences can be addressed without scripted replies. Real field data, season-by-season, informs shipping and packaging changes, not just quarterly cost calculations.

    Comparing 3-Nitrophenyl Isothiocyanate to Other Isothiocyanates

    In the synthetic chemistry of amino acids or small peptides, phenyl isothiocyanates have been the standard. The industry long relied on 4-nitro and unsubstituted phenyl variants. Collecting feedback and reviewing application literature, the 3-nitro substituted version shows better selectivity, both in the ease of derivatization and the crystallinity of the final urea product.

    Researchers noticed that the ortho nitro compound, with the nitro group at the 2-position, causes steric hindrance, reducing access to amine groups. Para-substituted isothiocyanates, while easier to make, lack the strong electron-withdrawing effect needed for high-reactivity derivatization, which means researchers get lower sensitivity or stray byproducts. The 3-nitro isomer often provides more robust yields and higher signal clarity for UV-detection protocols, which gets double-checked each month in our in-house application lab.

    Some customers tested our material against European and Japanese competitors. Reports say batches sourced from traders delivered unpredictable side product content, leading to service tickets and lost experiments. In contrast, chemists buying direct from a stable, vertically integrated manufacturer—who synthesizes and analyzes each lot—rarely report such problems.

    Looking Forward: Improving, Not Just Maintaining Standards

    Our team revises processes based on facts and user feedback. We’ve responded to application chemists who needed more granular impurity data. Instead of offering stripped-down certificates, we upgraded our analytics to include extended impurity profiles. Customers with FDA and EMA-regulated projects get more confidence. For those new to this chemistry, our team schedules technical walkthroughs before first trial runs, reducing lost time and unnecessary error.

    The synthesis of 3-Nitrophenyl Isothiocyanate is a field of constant adjustment. Minor changes in starting material quality, batch temperature swings, or storage conditions all affect the final result. Our hands-on team knows that controlling these variables—sourcing raw nitrochlorobenzene from validated sources, tuning reagent addition, monitoring air quality in drying rooms—makes a difference customers feel in every analytical report.

    Service, adaptability, and deep familiarity with the compound’s quirks are part of our culture. Regulatory audits, evolving solvent standards, and greener process reviews keep the manufacturing team on watch. We recognize that each new partnership brings yet another use-case or challenge, and each one feeds back into continuous improvement.

    Final Thoughts from the Shop Floor

    3-Nitrophenyl Isothiocyanate is more than a line on a catalog or an anonymous chemical identifier. It’s a complex synthetic challenge, a quality commitment, and a product shaped as much by the diligence of production as by the needs of scientists in the field. Having spent years at the benches and reactors crafting this molecule, we know all too well that users demand more than just specs—they seek reliability, transparency, and partnership from the genuine makers.

    Every vial represents hard-won lessons and a readiness to engage directly with those who push the boundaries of synthetic chemistry, life sciences, and new technology. Ongoing investment in analytical equipment, staff training, and greener chemistry ensures 3-Nitrophenyl Isothiocyanate reaches you at a level fit for cutting-edge work. That’s something no reseller or distant trader can replicate.