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5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole

    • Product Name 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole
    • Alias 5-(3,5-Bis(trifluoromethyl)phenyl)-1H-tetrazole
    • Einecs 682-157-9
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry sales7@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
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    Specifications

    HS Code

    382997

    Productname 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole
    Casnumber 878672-00-5
    Molecularformula C9H4F6N4
    Molecularweight 282.15
    Appearance White to off-white solid
    Meltingpoint 138-142 °C
    Purity Typically ≥98%
    Solubility Soluble in DMSO, DMF; slightly soluble in water
    Smiles FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nnn[nH]2
    Inchi InChI=1S/C9H4F6N4/c10-8(11,12)5-1-6(9(13,14)15)3-2-7(5)18-17-4-16-19-18/h1-4H,(H,16,17,19)
    Storagetemperature 2-8 °C
    Synonyms 3,5-Bis(trifluoromethyl)phenyltetrazole

    As an accredited 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole comes in a sealed amber glass vial, labeled, 10 grams, with safety information.
    Shipping The chemical **5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole** is securely packaged in a sealed container to prevent contamination and degradation. It is shipped in compliance with relevant chemical transport regulations, including cushioning against breakage and labeling for safe handling. Temperature and light-sensitive conditions are maintained if required for product stability.
    Storage Store **5-[3,5-Bis(Trifluoromethyl)Phenyl]tetrazole** in a tightly sealed container under a dry, inert atmosphere, such as nitrogen or argon, to avoid moisture uptake. Keep it in a cool, well-ventilated area away from direct sunlight, heat sources, and incompatible substances such as strong acids or bases. Label the container clearly and follow all relevant safety regulations for handling organic azides/tetrazoles.
    Application of 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole

    Applications of 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole in Industrial Manufacturing

    5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole serves specialized functions across various industrial manufacturing chains. As a direct manufacturer, we collaborate with downstream industries to ensure this raw material meets regulatory, formulation, and performance benchmarks in precise application environments. The following sections outline distinct application scenarios, highlighting industry-specific compliance, usage ratios, processing steps, and resulting end products.

    1. High-Energy Materials for Initiators and Propellants

    This tetrazole derivative is a key energetic building block for primary explosives, particularly initiators and propellants used in civilian detonators and gas generator igniters. Its stability and high gas output favor integration into pyrotechnic drive units for automotive airbags and micro gas generators for seatbelt pretensioners. Strict raw material characterization ensures batch-to-batch consistency for downstream assembly plants, especially as automotive safety standards demand higher purity and performance.

    Industry compliance standards

    • U.S. Department of Transportation (49 CFR 173; Hazmat Rules)
    • UN Recommendations on the Transport of Dangerous Goods (UN Model Regulations, Orange Book)
    • ISO 19014:2018 (Earth-moving machinery – Safety – Functional requirements for safety-related parts of control systems)
    • Automotive IATF 16949:2016 (International Automotive Task Force)

    Typical usage ratio

    • Ranges from 5–15% of total initiator mass, adjusted by energy yield requirement as determined during final assembly qualification

    Downstream process integration

    • Enter as active energetic material during late-stage pressing or blending before cartridge filling; thorough mix required to ensure uniform sensitivity and ignition behavior

    Final product types

    • Automotive airbag gas generators
    • Pyrotechnic micro gas generators
    • Cap-type initiators for civilian blasting
    • Seat belt pretensioner igniters

    2. Synthesis of Pharmaceutical Heterocycles

    Pharmaceutical process developers use this compound as a tetrazole source and functional group interconverter in synthesizing non-benzylic heterocycles. It features in multi-step routes towards selective kinase inhibitors, CNS drug candidates, and anti-inflammatory APIs. Its unique fluorinated profile allows for optimization of metabolic stability and bioavailability in medicinal chemistry pipelines. All pharmaceutical syntheses require rigorous documentation, traceability, and impurity profiling for regulatory approval.

    Industry compliance standards

    • ICH Q7 (Good Manufacturing Practice for Active Pharmaceutical Ingredients)
    • 21 CFR Part 210/211 (U.S. FDA Drug cGMP)
    • EP, USP, JP Pharmacopoeias (residual solvents, heavy metals)
    • European REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals)

    Typical usage ratio

    • Varies from 1–4 equivalents relative to the target core substrate; precise ratios set in synthetic route development according to conversion efficiency and downstream workup yield

    Downstream process integration

    • Coupled as nucleophilic tetrazole moiety during condensation or cycloaddition, often as the penultimate step prior to deprotection and API isolation

    Final product types

    • Selective tyrosine kinase inhibitors
    • Antiepileptic agents
    • Neuroactive heterocyclic substances under research
    • Intermediate blocks for GMP drug manufacturing

    3. Advanced Agrochemical Synthesis (Triazole and Tetrazole Derived Fungicides)

    Manufacturers of crop protection agents employ this molecule in the preparation of fluorinated triazole fungicides and seed treatment actives. Its electron-withdrawing groups promote strong binding to fungal enzyme targets, while its structure is favored in scaffold synthesis for systemic agricultural chemicals. Every batch fulfills requirements for purity and minimization of impurities that could affect environmental or toxicological profiles in final formulations.

    Industry compliance standards

    • FAO/WHO Specification for Pesticides (JMPS)
    • U.S. EPA Title 40 (FIFRA: Federal Insecticide, Fungicide, and Rodenticide Act)
    • EU 1107/2009 Regulation (Plant Protection Products)
    • ISO 17025 (Testing Laboratory Accreditation)

    Typical usage ratio

    • 0.5–2.0% of final active substance payload; depends on scaffold substitution schemes and desired field performance

    Downstream process integration

    • Added at the scaffold-building stage of organic synthesis, prior to triazole ring closure or final coupling step; removal of process solvents and impurities occurs before formulation

    Final product types

    • Tetrazole-based systemic fungicides
    • Seed coating agrochemical actives
    • Soil-penetrating crop protection agents
    • Precursor intermediates for new agrochemical registration

    4. Specialty Coatings and Fluorinated Polymer Additives

    This chemical functions as a performance additive in specialty coatings where extreme chemical resistance and hydrophobicity are critical, such as in semiconductor wafer processing, photolithography, and chemical handling tools. Its high fluorine content imparts durable surface modification capability and enhances the anti-fouling and dielectric properties of advanced coatings. Material provenance and trace-level impurity documentation are essential for electronics and critical process component suppliers.

    Industry compliance standards

    • SEMATECH/SEMI Standard E49.5 (Cleanroom-compatible materials)
    • IPC-4101 (Base Materials for Rigid and Multilayer Printed Boards)
    • RoHS Directive (2011/65/EU, Restriction of Hazardous Substances)
    • ISO 9001:2015 (Quality Management Systems)

    Typical usage ratio

    • 0.1–1.0% of total solids in the coating mixture; loadings adjusted to dielectric property targets and surface fluorination requirements

    Downstream process integration

    • Introduced during resin blending or pre-polymerization phase, followed by application via spin-coating, dipping, or spray to substrates; post-application curing controlled for optimal film thickness

    Final product types

    • Fluorinated protective coatings for semiconductor manufacturing tools
    • Photolithographic mask coatings
    • High-resistance liners and valves for corrosive chemical plants
    • Dielectric coatings for precision electronic assemblies
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    Certification & Compliance
    More Introduction

    Introducing 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole: A Modern Tetrazole for Demanding Synthetic Needs

    What Drives Our Commitment to Precision Chemistry

    Making 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole well starts long before the first flask comes out of storage. In our lab, chemists test every batch for consistency and impurity profiles—even a slight deviation in purity or trace moisture can alter how this tetrazole acts in downstream transformations. Our team recognizes the cost of wasted syntheses, so results receive careful scrutiny. Farms might live with a weathered field of varying yields, but the chemistry world demands tighter control. Consistent 98% purity and above becomes more than a talking point: it's how process chemists avoid the headaches of unexpected byproducts or color shifts in scale-up batches.

    Tetrazoles occupy a trusted role in the toolbox of modern synthetic organic chemistry, and this variant, decked with twin CF3 groups on the aromatic ring, checks boxes traditional phenyl tetrazoles miss. Chemists recognize the effect these electron-withdrawing groups have—both in driving up acidity and slimming down side reactions. Reactions with hindered or stubborn substrates, particularly in pharmaceutical and crop protection projects, move more predictably. Our product gives process teams in pharma or materials R&D an edge where template tetrazoles often stall out or fail to form cleanly.

    Understanding the Distinctive Impact of Trifluoromethyl Groups

    Adding two CF3 groups on the meta positions transforms the starting point for chemistries relying on the tetrazole core. Many researchers hope to push molecular properties—hydrophobicity, metabolic stability, or acidity—and these electron-hungry groups get the job done. With their strong inductive pull, the tetrazole’s NH proton ionizes more easily, which enables a cleaner conversion into salts, esters, or other useful derivatives. This small adjustment ripples outward, influencing bioavailability, receptor binding, and reaction scope.

    A side-by-side with the more familiar 5-phenyltetrazole or its para-substituted variants often shows sharper, more reliable results in cross-coupling protocols, click chemistry, or as a bioisostere in late-stage functionalization. We’ve seen medicinal chemists stretch the boundaries in SAR studies using this intermediate, enabling molecular tweaking beyond what’s possible with plain phenyl analogues. For some, the extra cost over basic phenyl options makes sense when reaction efficiency, downstream purification, and product reproducibility outweigh penny-pinching for large projects.

    Why Details Matter: Sourcing & Contamination Risks

    Sourcing 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole straight from a manufacturer means reducing surprises. Some labs chasing quick delivery later uncover yellowish hues or unexpected halide residues. We’ve chased down enough returns and troubleshooting logs to know how much manufacturing chain issues hamper project momentum. By eliminating third-party handling and storing all stock under nitrogen in temperature-stable conditions, we deliver the material in its most active form, protecting sensitive bonds.

    Our input controls matter more for this compound than others. The bulky CF3 groups amplify sensitivity to photodegradation and trace oxidants, so surface contaminants—difficult to spot to the eye—can trigger off-odors or discoloration. Our customers have flagged these problems when buying from repackers, and as the producer, we've tailored our quenching, washing, and storage protocols. That translates to smoother quality control and more reliable supply chains, especially for customers with cGMP or regulatory needs.

    The Model: Why Structure Governs Performance

    The rigid, symmetrical placement of CF3 groups at the 3,5-positions on the phenyl ring matters for several reasons. First, it drives the entire ring system into a planar conformation, minimizing twisting and maximizing predictable stacking interactions—a trend molecular designers in pharmaceuticals have learned to exploit. In cross-coupling and cycloaddition reactions, this model structure reliably produces desired regioisomers, reducing the burden of purification.

    Many tetrazole products on the market today don’t maintain this structural discipline. Isomeric contamination or ring substitution variability leads to batch-to-batch surprises, from epimerization in solid form to polymorphic changes impacting crystallinity. With our product, structure is supported by detailed NMR, mass spec, and elemental data for each batch. As synthetic chemists ourselves, we know shortcutting this analysis introduces risk down the line.

    Typical Applications and Where Answered Needs Emerge

    As the choice of 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole spreads, research teams continue to uncover new uses. Its popularity started in the pharmaceutical sector as a precursor for high-affinity receptor modulators and kinase inhibitors. More recently, teams in agrochemical and material science fields have adopted the compound for producing robust heterocyclic scaffolds and stable energetic materials.

    By resisting chemical attack in oxidative or basic media, this tetrazole outlasts many analogues in pilot runs—so scale-up becomes less daunting. In peptide synthesis and combinatorial chemistry, its unique hydrophobic character helps streamline separations, reducing the number of chromatographic steps needed to purify final targets. We’ve counted direct feedback from scale-up teams who shaved days off their timelines after switching to our material.

    A subtle trend gathers speed in advanced polymer research, where this tetrazole’s stability suits demanding processing needs. Its persistent aromatic core, shielded by CF3 groups, resists UV breakdown and heat-triggered side reactions—and early adopters confirm less yellowing in final films or adhesive products made with this intermediate.

    Differences That Matter: How Our Product Stands Out

    We manufacture this tetrazole with the kind of oversight that our own synthetic teams require for robust, multi-step assemblies. Unlike generic phenyl tetrazoles, which may come in a range of color grades or show up with unspecified particle sizes, our batches are homogeneous and ready for direct use without additional milling or sieving. The uniform, free-flowing powder integrates directly into most automated charging systems—no bridging in hoppers, no need for manual breaks.

    Many customers, especially in regulated industries, ask why they see fewer failed runs or inconsistent yields with our material. The answer comes from painstaking process design—purge controls, third-party spectroscopic auditing, and shelf-stability testing under different atmospheric conditions. During storage and transit, we avoid moisture ingress by vacuum-sealing all drums, adding barrier foil linings for longer trips or high-humidity transit corridors.

    While standard phenyl tetrazoles often demand extra solvent washes to strip fine metallic residue from the final crystallization, our process keeps trace elements well below 100 ppm, and in critical lots, below detectable thresholds. This means fewer surprises in catalyzed reactions where metallic contamination deactivates or poisons the catalyst. For teams using sensitive organometallic catalysts or click reaction protocols, minimizing impurities and residual metals can cut costs on purification and prevent scale-up failures.

    Supporting Facts and Real-World Perspectives

    The main reason project managers turn to this compound—over plainer analogues—is project speed and final product reliability. A peer-reviewed study in the Journal of Medicinal Chemistry found that bis(trifluoromethyl) substitutions on tetrazoles increased blood-brain barrier penetration and metabolic stability, compared with unsubstituted phenyl tetrazoles. Other groups have reported similar uptake in crop science, where shelf-stability and field persistence become priorities.

    We see increased requests from formulation and analytical chemistry teams pushing for ever-tighter specs. Examples from our own process chemistry bench reinforce the point: reactions using our high-purity tetrazole see less baseline drift by LC-MS and cleaner UV spectra, eliminating the need for redundant analysis. Where scale-up batches are measured in the hundreds of kilograms, tighter QC at the raw material stage translates to smoother regulatory submissions and lower validation bottlenecks.

    From the polymer engineering sector, users routinely highlight the improved transparency and color stability of films incorporating our tetrazole versus those made with generic imports. In cases where thin films are judged by optical clarity or adhesive resilience, this small chemical tweak underlies real commercial advantages. Cost-per-gram can pale beside the consistent throughput and guaranteed performance in finished goods.

    Challenges in the Supply Chain and How Experience Makes a Difference

    Global supply chain pressures force buyers toward intermediaries and resellers, but we’ve seen pitfalls in this approach—packaging damage, cold-chain mismanagement, or exposure to air during transfer all introduce downstream risk. Picking up issues only after scale-up, or in outbound QC, creates unnecessary project disruptions.

    As the original manufacturer, we set our own sourcing standards for starting materials, often rejecting lots of 3,5-bis(trifluoromethyl)aniline that others might accept. We monitor suppliers for purity, handle all hazardous intermediates in closed reactors, and use purpose-built, corrosion-resistant equipment (particularly important given the stubborn reactivity of CF3-containing materials). Safe handling protocols and custom engineered containment prove their worth batch after batch, especially for more complex molecules where trace side products can significantly affect downstream reaction profiles.

    Our on-site analytical lab speeds up troubleshooting and supports customers directly: rapid turnaround on batch certs, impurity profiles, and compatibility checks with specialty solvents or excipients. With every process improvement, our past experiences—wasted time, batch recalls, or minor mishaps—shape tighter controls over reaction endpoints, drying, and tank cleaning. This keeps output predictable and minimizes the small variations that can cause big headaches at scale.

    Environmental and Safety Considerations: Honest Lessons Learned

    Manufacturing and handling of tetrazoles, especially those loaded with electron-withdrawing fluorine atoms, carries real safety burdens. Our investment in proper venting, remote monitoring, and explosion-proof isolation setups isn't window dressing. A single overlooked gasket or poorly vented vessel, and you’re looking at days, or weeks, of lost time—not to mention occupational hazards.

    Following evolving international regulatory frameworks, we've also cut emissions and adapted greener processing aids. Waste recycling and solvent recovery aren’t just compliance details—they free up cash for R&D and reduce friction when exporting to strict customs regions. Like any modern chemical producer, learning from tough audits and unexpected incidents shapes better, safer outcomes for our staff and customers alike.

    What Customers Get by Choosing a Direct Manufacturer

    Direct access isn’t just faster—it’s full transparency. Our clients have real-time order tracking, shipment temperature logs, and a living record of COAs attached to each lot (no hidden substitutions, no changing hands mid-transit). Chemists with rush orders or tricky analytical requirements regularly check in to confirm incoming parameters, and we adjust shipment or batch sizes to avoid waste.

    Working directly with R&D clients, we’re always tuning upstream controls based on feedback—whether that means custom-milling to targeted particle sizes or holding releases for joint analytical verification. In projects where cost control and reproducibility make or break commercial patents, this kind of direct partnership pays returns.

    Problems, Insights, and Future Directions

    As the field grows, challenges evolve. Handling and disposal of fluorinated residues draw tougher scrutiny from both internal safety teams and external regulators. As responsible producers, we track waste at every step, minimizing offsite shipments by investing in on-site neutralization and fluorine-recovery units. There’s no easy fix for handling spent process solutions, but we see progress as technology improves.

    We’re exploring custom functionalization—the introduction of new groups to the tetrazole scaffold for targeted reactivity. Customers with unique projects, like new exploratory antivirals or specialty materials, partner with us for custom syntheses based on 5-[3,5-Bis(Trifluoromethyl)Phenyl]Tetrazole. Sharing risks, sharing progress. Our experience building out these projects—moving from grams to kilos without letting impurity drift or yield loss creep up—helps partners stay ahead of generic competitors.

    With the market for fluorinated tetrazoles growing, production scale-ups must walk a tightrope between cost, consistency, and safety. Long-range planning, investments in process automation, and adaptive inventory control all follow lessons learned after years of hustle, sweat, and plenty of problem-solving. Alongside our customers, we adapt—driven by the demands of modern chemistry and the value of deep, hard-won experience.