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4-Nitro-2,1,3-Benzothiadiazole

    • Product Name 4-Nitro-2,1,3-Benzothiadiazole
    • Alias 4-nitrobenzothiadiazole
    • Einecs 217-703-0
    • 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
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    Specifications

    HS Code

    909262

    Chemical Name 4-Nitro-2,1,3-Benzothiadiazole
    Cas Number 6968-68-5
    Molecular Formula C6H3N3O2S
    Molecular Weight 181.17 g/mol
    Melting Point 186-190 °C
    Appearance Yellow solid
    Solubility Slightly soluble in water; soluble in chloroform and acetone
    Purity Typically ≥98%
    Density 1.68 g/cm³ (estimated)
    Smiles O2Nc1ccc2nsnc2c1
    Inchi InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)12-8-7-5/h1-3H

    As an accredited 4-Nitro-2,1,3-Benzothiadiazole factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The 25g amber glass bottle is sealed with a blue cap and labeled: 4-Nitro-2,1,3-Benzothiadiazole, including hazard symbols.
    Shipping 4-Nitro-2,1,3-Benzothiadiazole is shipped in tightly sealed containers, protected from light, moisture, and incompatible substances. It is classified for transport according to relevant chemical regulations, often as a hazardous material. Ensure compliance with international shipping standards, and handle with appropriate personal protective equipment to avoid exposure. Store at controlled room temperature.
    Storage 4-Nitro-2,1,3-Benzothiadiazole should be stored in a tightly sealed container, away from direct sunlight, heat, and sources of ignition. Keep it in a cool, dry, and well-ventilated area, separated from incompatible materials such as strong oxidizers and reducing agents. Properly label its container and ensure access is restricted to trained personnel, following relevant safety protocols.
    Application of 4-Nitro-2,1,3-Benzothiadiazole

    Applications of 4-Nitro-2,1,3-Benzothiadiazole in Industrial Manufacturing

    4-Nitro-2,1,3-Benzothiadiazole serves as a valuable intermediate in several advanced manufacturing sectors. The following application scenarios show its integration in modern downstream industries, covering regulatory, process, dosage, and target product perspectives based on our experience as a direct producer.

    1. High-Performance Organic Electronic Materials

    This molecule functions as an electron-deficient building block for the synthesis of n-type materials in organic semiconductors. Manufacturing of organic photovoltaic devices, OLEDs, and organic field-effect transistors incorporates it due to the electron-withdrawing properties of the nitro group. In device fabrication, precise purity, low metallic trace content, and control over substitution patterns remain critical to ensure charge mobility and stability under thermal and light stress. Our customers use this compound in the core synthesis of complex donor-acceptor dyads and conjugated polymers for thin-film deposition in cleanroom environments.

    Industry compliance standards

    • RoHS Directive (2011/65/EU) for electronics components
    • REACH Regulation (EC) No 1907/2006 Annex XVII for precursor chemicals
    • IPC-4101: Specification for Base Materials for Printed Boards
    • ISO 9001:2015 for quality management in electronic material production

    Typical usage ratio

    • Core monomer content in polymer synthesis: 5–20 mol% depending on target bandgap
    • Adjustments based on chain length and specific optical/electrical properties required
    • Purity grades >99.5% required for device applications
    • Trace metal content <5 ppm as per customer QC protocols

    Downstream process integration

    • Entry point in Suzuki, Stille, or Buchwald–Hartwig coupling for polymer assembly
    • Incorporation during backbone design for conjugated co-polymers
    • Preparative thin-layer chromatography or preparative HPLC for end-product purification
    • Device layer formulation for spin-coating, inkjet printing, or vacuum deposition

    Final product types

    • Organic solar cell active layers
    • OLED emitter and acceptor materials
    • Organic thin-film transistor (OTFT) arrays
    • Printed flexible circuit substrates

    2. Laboratory-Grade Fluorescent Probes & Sensors

    Specialty chemical suppliers and research organizations use 4-Nitro-2,1,3-Benzothiadiazole derivatives to synthesize fluorescent probes and molecular sensors. The electron-accepting characteristics facilitate photoinduced electron transfer in 'turn-on' or 'turn-off' sensor designs. Laboratories integrate the material in multi-step logic probe development and high-sensitivity environmental or biological detection kits, frequently as part of custom order programs requiring validated spectral properties and consistent reactivity in indicator groups.

    Industry compliance standards

    • IUPAC Nomenclature and Definition Standards for chemical structure
    • ISO 17025:2017 for laboratory testing and calibration competence
    • ICH Q7 for GMP in Active Pharmaceutical Ingredient manufacturing (for biolabeling research)
    • OECD Guidelines for Testing of Chemicals (analytical method validation)

    Typical usage ratio

    • 1–10 mol% as reactant in fluorescent molecule scaffolding, depending on required probe brightness
    • Solution concentrations in sensor development: typically 0.01–1 mM
    • Purity >99% with confirmed photostability specifications
    • Residual solvent content <0.1% as verified by GC analysis

    Downstream process integration

    • Participates in condensation or cyclization reactions for probe skeleton formation
    • Final labeling and conjugation step with peptides, nucleotides, or antibodies
    • Spectroscopically evaluated using HPLC, LC/MS, and fluorimetry
    • Packaged as solution standards or lyophilized powder for lab kit assembly

    Final product types

    • High-sensitivity fluorescent dyes for imaging
    • Molecular logic gate sensors
    • Environmental heavy metal detection strips
    • Bioassay labeling reagents

    3. Photoinitiator and Photocatalyst Synthesis

    Synthetic organic process developers utilize this compound as a precursor in advanced photoinitiator and photocatalyst molecules for both industrial UV-curable resins and specialty coatings. The nitro group supports charge transfer and exciton generation under UV or visible light, which is crucial in facilitating efficient polymerization onset across a range of wavelengths. High batch-to-batch consistency and impurity control are necessary to avoid unpredictable photoreactivity or end-use yellowing in coatings and inks.

    Industry compliance standards

    • ISO 14001:2015 for environmental management in chemical production
    • 21 CFR 175.300 for resin materials in indirect food contact applications (for specific photoinitiators)
    • ASTM D7767 for UV curing evaluations
    • GMP guidelines for photoinitiator production where used in packaging or medical devices

    Typical usage ratio

    • Introduced as an intermediate representing 10–30 mol% of total molecular structure for advanced photoinitiators
    • Recommended content refined based on required absorption properties and photo-response speed
    • Photoinitiator blends with 1–5% total active content in UV curable formulations
    • Residual nitrobenzothiadiazole <50 ppm in final photoinitiator as per customer release

    Downstream process integration

    • Functionalized via nitration, amination, or azide introduction for photoinitiator synthesis
    • Quality control via UV-Vis absorption and NMR spectra
    • Incorporated into oligomer resin blends during formulation
    • Co-extrusion or mixing into pigmented inks or coatings at the compounding stage

    Final product types

    • UV-cure adhesives and sealants
    • Industrial printing inks
    • Specialty coatings for electronics or optics
    • Medical device surface coatings (where cleared by relevant regulatory bodies)

    4. Intermediate for Agrochemical Synthesis

    Major agrochemical process houses utilize this chemical as a crucial scaffold for herbicide and fungicide active ingredients. Its benzothiadiazole core enables further construction of actives with broad-spectrum disease resistance or selective weed control modes. Due to strict regulatory regimes, the manufacturing line demands full traceability, validation of multi-step reaction yields, and extensive impurity profiling. Our material integrates early in the advanced intermediate stage, serving global agricultural brands and generics manufacturers aiming for crop protection improvements.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius for pesticide residue limits
    • Agrochemical production must comply with Regulation (EC) No 1107/2009
    • ISO 9001:2015 for quality management in crop chemical production
    • China GB/T 1604-2013: Technical Standard for Agrochemical Actives

    Typical usage ratio

    • Used at 1–5 mol% as a core structure in synthetic routes toward BTH-derived actives
    • Adjusts based on the potency and selectivity required for the target crop
    • Applied in multiton annual campaigns for base intermediate stock
    • Purity above 98% for intermediate batch validation

    Downstream process integration

    • Condensation or cross-coupling in early synthetic stage of active formulation
    • QA includes HPLC, GC, and elemental analysis of finished intermediates
    • Final steps involve sulfonation, alkylation, or chlorination for herbicidal/fungicidal specificity
    • Final actives formulated and microencapsulated for field application

    Final product types

    • Benzothiadiazole-based fungicides (e.g., BTH derivatives)
    • Next-generation selective herbicides
    • Crop resistance elicitors for cereals, rice, and vegetables
    • Blended agrochemical premixes
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    Certification & Compliance
    More Introduction

    4-Nitro-2,1,3-Benzothiadiazole: A Practical Look from the Plant Floor

    Understanding the Core of 4-Nitro-2,1,3-Benzothiadiazole

    Years of work in synthesis teach us that every specialty intermediate brings its own personality to the factory floor. 4-Nitro-2,1,3-Benzothiadiazole (CAS 21717-49-3, sometimes called 4-nitrobenzothiadiazole, NBTD) stands out for its sharp, consistent yellow shade and unique nitro group resonance. Our crews have handled a lot of heterocyclic small molecules. Few display the same steady batch-to-batch balance between nitro activation and aromatic stability. The molecular formula, C6H3N3O2S, reflects a tightly integrated benzothiadiazole skeleton, but it’s the position and impact of the nitro on the ring that makes a real practical difference for downstream work.

    Our Typical Product Specifications and Their Practical Impact

    From the synthesis tank, our crude 4-nitro-2,1,3-benzothiadiazole passes through a multi-stage purification line. We always stick close to a purity level comfortably above 98%, verified by HPLC and spot-checked with NMR and mass spectrometry for consistency, because any trace side-aromatic contaminants can throw off lab-scale and pilot runs. In the early years, we saw big variations in crude color and trace sulfurized residues—but investing in better extraction steps and in-line QC screening stamped that out. Now, we aim for a bright yellowish powder, almost odorless, flowing well with minimal caking, which helps lab operators avoid unnecessary sieving or re-drying work.

    Moisture content on delivery rarely drifts above 0.3% when packaged right away. Our team learned that keeping the product dry not only helps with stability—especially in humid summer months—but it also saves headaches when you scale up for multi-step syntheses involving nucleophilic aromatic substitution or reduction. Packaging choices, from small glass bottles to lined fiber drums, grow out of practical customer feedback and operator experience, not just spec sheets.

    How Chemists Actually Use 4-Nitro-2,1,3-Benzothiadiazole

    The main draw for most users centers on the nitro group’s strong electron-withdrawing strength on the benzothiadiazole ring. We see consistent orders from electronic materials R&D teams working on donor-acceptor polymers and OLED intermediates, where you need the controlled reactivity the nitro brings. When reducing NBTD to 4-amino-2,1,3-benzothiadiazole, the clean product from our process gives a high-yield, low-tar conversion, so you don’t waste time on repeated column purification.

    Dye and pigment labs rely on its strong resonance for color stability, especially where lightfastness and fade resistance are priorities. Agrochemical developers pick it up as a source of selective N- and O-functionalized intermediates, looking for that balance between reactivity and thermal robustness. Customers in research synthesis say the physical flow and low dust levels cut down on loss during weighing, which matters when you’re measuring out milligrams in pilot projects or scaling to multiple kilos.

    Key Differences from Other Benzothiadiazole Derivatives We've Handled

    Not every heterocycle with a sulfur-nitrogen core fits the bill for advanced synthetic needs. Compare NBTD with plain 2,1,3-benzothiadiazole or 4,7-dinitro analogues: you immediately see a jump in activation on the aromatic ring, thanks to the para-nitro group. With simple benzothiadiazole, substitution reactions crawl along without aggressive catalysts. The nitro version reacts smoothly with nucleophiles under milder conditions. This saves on running costs and reduces side products in the waste line.

    Against the 4,7-dinitro derivative, NBTD offers better selectivity—single-site functionalization is much easier to control, and the product forms cleaner crystals after isolation. Dinitro compounds come with higher risk for both operator safety and thermal decomposition, leading to higher management costs and volatility during shipment. Our shop-floor team prefers working with NBTD partly because handling protocols are much less restrictive—glovebox is optional, not mandatory, and standard ventilation covers most daily use.

    We’ve seen new entrants try to use substituted chloro- or bromo-benzothiadiazoles for certain cross-coupling applications, but feedback from customer labs suggests purification becomes a problem, with persistent halide residues and discoloration. 4-nitro-2,1,3-benzothiadiazole avoids those pitfalls, delivering a cleaner starting point with easier downstream modifications. In dye chemistry, monochloro analogues fall short in color intensity and shelf life compared to the nitro-activated option.

    Reliability and Batch-to-Batch Insights Gained Over Years

    Every operator knows not all batches behave the same, even with tight process control. Early runs tended to show more background aromatics and occasional yellow-brown streaks in product samples. Adjusting the temperature ramp and solvent ratios during nitration turned out to be key—keeping a steady temperature curve below 95°C avoids harsh byproducts and controls particle size, resulting in a consistently pure and granulated product. Regular hands-on QC checks pulled from the mixing tanks—rather than relying just on automated data—caught a few “hidden” impurities that standard HPLC missed, so we learned to combine multiple tests every shift.

    Storage stability came up again and again with shipping partners. NBTD picks up ambient moisture if left open too long, clumping in humid rooms and slowing downstream processing. We improved packaging chambers to keep out air and water vapor, and lined every drum with extra desiccant. The number of complaints dropped sharply, and repeat customers said their finished products performed more predictably in pilot coating and dyeing lines.

    Lessons Learned About Safety and Handling

    Working with nitroaromatics always calls for careful attention. Our crew developed routines—ventilated loading, dust minimization, personal protective equipment—so operators avoid unwanted nitro exposure. While 4-nitro-2,1,3-benzothiadiazole avoids the volatility of higher-nitro compounds, it still requires discipline. The risk of combustion under standard temperatures remains low, but powder fires or irritation from small spills can slow down a whole line. We train all new hands on safe weighing, adding product slowly to solvents, and keeping storage rooms below 30°C.

    In waste management, we separate spent product and clean-down solutions from other acidic or basic wash streams, since even small residues of nitroaromatics ask for special disposal steps. Over the last few years, we also switched to closed transfer systems for bulk delivery. This cut down on operator exposure, sped up drum-emptying, and kept things within tighter environmental site targets.

    Environmental, Regulatory, and Supply Chain Responsibility

    Over decades, the scrutiny on nitroaromatic intermediates like NBTD continues to climb, particularly in export markets. Staying a step ahead of evolving regulations prevents headaches at the border. Our documentation team registers each substance with the relevant authorities by batch, and we send periodic impurity audits to major clients using this compound in electronic and pigment manufacture.

    On the practical side, raw material reliability matters. During global raw material crunches, we saw benzanilide and nitrous acid supply lines pinch—so we set up secondary suppliers and beefed up our inventory buffer. Keeping steady output from our own synthesis lines, under one roof, proved critical last year when certain overseas resellers ran dry for weeks. On-site production hands let us keep tighter control of purity, price, and lead time compared to outfits that only re-package or trade.

    Environmental expectations rise every year. We invested in scrubbers and batch wash recovery lines so our air and water discharges stay well within local rules. In practice, using solvent recovery in our nitration steps keeps costs in line and protects our team from unnecessary exposure. Any solid nitro-residues are incinerated off-site under certified hazardous protocols.

    What Real Users Care About in Manufacturing and R&D Applications

    In labs crafting new functional dyes, conjugated oligomers, or optoelectronic components, small differences in intermediate grade can ripple out through the project. Consistency in NBTD’s purity and physical form saves time in both pilot and full-scale setups. Our regular users return because our batches deliver clean, sharp signals in both NMR and mass spectra, so less energy gets spent cleaning up or validating unknowns from earlier steps.

    The nitro activation pattern appeals to those planning reductions, substitutions, or cross-coupling—processes that depend on predictable molecular behavior, not just theoretical reactivity. It forms stable organolithium and other reactive intermediates that let chemists push creative boundaries for electronic devices, light-emitting materials, and new coatings.

    We don’t see NBTD used in mainstream pharma, as toxicity and aromatic instability can become hurdles. The demand comes almost entirely from specialty chemical shops, academic innovators, and electronics component suppliers. They look for deep color, quick reactivity, and ease of downstream transformations, and the nitro form delivers where simpler or fully-substituted benzothiadiazoles do not.

    Building Trust: Direct Producer vs. Third-Party Repackagers

    Many customers ask for proof that what they’re getting hasn’t passed through two or three broker hands. Direct factory supply means you can track every drum all the way back to the reactor, with impurity audits and batch stability files on hand. We stay open to audits from partner labs, and our QA team freely shares analytical data beyond the standard COA for clients developing critical electronic or pigment materials.

    Feedback from R&D chemists and scale-up engineers flows right back to our production group, shaping our choices about storage, shipment, and packaging. When a customer ran into trouble dissolving a sample for polymer synthesis, we worked directly with their team to tune drying and sieving steps, speeding up their R&D workflow. This sort of fast feedback loop lessens loss and brings actual product improvements, not just marketing spin.

    Adapting to Research Demands and Bulk Applications

    As research speeds up, so does demand for special intermediates. Academic labs might order in small bottles and go through half a kilo in a month, probing new reactions or electronic materials. A polymer chemistry group scales up and requests a 20-kilo drum, testing product in solar cell films. Our job involves listening to stories from both groups, adjusting our production and packing, and shipping on a schedule their projects actually follow—not just what works for warehouse slotting.

    Feedback loops with pilot users help us spot small improvements before they turn into big headaches. In one case, fine-tuning the milling step cut handling losses and sped up a client’s coating process. Schedulers now keep some free capacity each week in case an R&D partner needs quicker turnaround on a special-cut batch or a different drum size.

    Biggest Challenges and How We Solve Them

    Maintaining consistent high purity batch after batch always pushes us. The chemical intricacies of aromatic nitration mean that even the same raw materials can react differently in summer humidity or cold winter shifts, impacting the physical form and minor impurity profile. Extended pilot phases with careful sampling and old-school hands-on checks let us keep product quality stable. Our operators know what a “clean” NBTD batch should flow, smell, and look like, often before high-end instruments confirm it.

    Occasionally, customer labs ask for a certain particle size spectrum or extra drying to match a unique process. In those cases, we run off small test batches, measure them carefully, and repeat until we hit the user’s practical target—not just a number in a data sheet. If a problem pops up downstream, our technical service team walks through possible fixes, or ships a fresh sample that matches what’s needed.

    The Value of Factory Experience in NBTD Supply

    NDAs and confidentiality deals often mean we don’t see the final application, but direct communications with technical managers and scientists help keep our process aligned with real needs. On our side, experienced hands run every batch, trace the raw materials, and keep control of storage and shipping steps. Skipping the resellers and brokers means better prices and, more importantly, full transparency on quality and regulatory documentation.

    We back every lot with in-house analytical reports and enough retained sample to double-check findings if any anomaly appears. This system pays off for customers chasing low-ppm impurity profiles required in advanced electronics or colorants. Our regulars tell us these disciplines cut technical risk and make it easier for them to win internal approval for scale up or new project budgets.

    Continuous Improvements and Future Steps

    Keeping a specialty product like 4-nitro-2,1,3-benzothiadiazole top-tier takes ongoing effort. The latest improvements on our site focus on green chemistry—solvent minimization, nitrogen venting, and energy-friendly drying. We keep experimenting with recovery cycles, waste heat reuse, and safer process monitoring to further lower the overall environmental footprint.

    As electronics R&D and advanced polymer fields expand, so do requirements for trace impurity levels, long-term stability, and reliable logistics support. Our teams talk directly with partners about changing requirements, regulatory updates, or technical changes. Adjusting quickly from the source keeps projects moving—less time chasing paperwork or handling out-of-spec batches, more time pushing new science forward.

    Conclusion: NBTD Built on Practical Experience

    4-nitro-2,1,3-benzothiadiazole draws a steady demand from those who need color stability, pure electronic effects, and tough aromatic frameworks. Years of direct production gave us the technical and practical insights to keep output reliable, trustworthy, and ready for real-world applications. Our factory keeps flexible lines open, adapts to research and scaling needs, and keeps a close eye on every variable from raw material to shipping drum. In a market where consistency over time counts for more than flashy packaging or slick advertising, experience on the floor makes all the difference.