|
HS Code |
750373 |
| Chemical Name | 3-pyridinecarbonitrile, 2-(trifluoromethyl)- |
| Cas Number | 21363-18-8 |
| Molecular Formula | C7H3F3N2 |
| Molecular Weight | 172.11 |
| Appearance | White to beige solid |
| Melting Point | 67-69°C |
| Density | 1.35 g/cm³ (estimated) |
| Solubility In Water | Slightly soluble |
| Smiles | C1=CC(=C(N=C1)C#N)C(F)(F)F |
As an accredited 3-pyridinecarbonitrile, 2-(trifluoromethyl)- factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | Amber glass bottle, screw cap, labeled "3-pyridinecarbonitrile, 2-(trifluoromethyl)-," 25g, hazard symbols, supplier and CAS number displayed. |
| Container Loading (20′ FCL) | Container Loading (20′ FCL) for 3-pyridinecarbonitrile, 2-(trifluoromethyl)-: Typically loaded in 200 kg drums, totaling 80 drums (16 MT) per container. |
| Shipping | The chemical 3-pyridinecarbonitrile, 2-(trifluoromethyl)- is shipped in tightly sealed containers, protected from light and moisture. It is handled according to all regulatory requirements for hazardous materials, typically via ground or air freight. Proper labeling and accompanying safety documentation, such as MSDS, ensure compliance and safe transportation. Temperature control may be necessary. |
| Storage | 3-Pyridinecarbonitrile, 2-(trifluoromethyl)- should be stored in a tightly sealed container, in a cool, dry, and well-ventilated area, away from heat, sparks, and sources of ignition. Keep it away from incompatible substances such as strong oxidizing agents. Protect from moisture and store under inert atmosphere if recommended. Store at room temperature and avoid prolonged exposure to light. |
| Shelf Life | 3-Pyridinecarbonitrile, 2-(trifluoromethyl)- typically has a shelf life of 2–3 years when stored in a cool, dry place. |
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Purity 99%: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with 99% purity is used in pharmaceutical intermediate synthesis, where high purity ensures reduced by-product formation. Melting Point 62°C: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with a melting point of 62°C is used in agrochemical formulation, where precise melting behavior enables consistent blending. Molecular Weight 170.11 g/mol: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- of 170.11 g/mol is used in fine chemical manufacturing, where defined molecular weight allows predictable process yield. Particle Size < 50 μm: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with particle size below 50 μm is used in catalyst preparation, where fine particles enable enhanced surface area contact. Stability Temperature up to 120°C: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- stable up to 120°C is used in high-temperature reactions, where thermal stability maintains compound integrity. Water Content ≤ 0.2%: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with water content ≤ 0.2% is used in anhydrous synthesis, where low moisture prevents hydrolytic degradation. Refractive Index 1.520: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with a refractive index of 1.520 is used in optical material development, where consistent optical properties are essential. Assay ≥ 98%: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with assay ≥ 98% is used in analytical research, where high assay guarantees reliable data accuracy. Boiling Point 226°C: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with a boiling point of 226°C is used in chemical vapor deposition, where controlled volatility ensures deposition efficiency. Solubility in DMSO 100 mg/mL: 3-pyridinecarbonitrile, 2-(trifluoromethyl)- with solubility of 100 mg/mL in DMSO is used in medicinal chemistry screening, where high solubility allows for concentrated stock solutions. |
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3-Pyridinecarbonitrile, 2-(trifluoromethyl)- brings an edge to research labs and production lines that work with pyridine derivatives. From our years on the factory floor, it’s clear that the subtle change of a trifluoromethyl group on this pyridinecarbonitrile scaffold delivers distinct advantages. Each production batch gets tested beyond surface QA standards to guarantee it responds predictably in downstream organic syntheses, because many high-value synthons and intermediates work only if the core material comes without residual water or unreacted precursors. Orders for this molecule have risen as more customers ask for reliable starting points in pharmaceutical and agrochemical development.
We have refined our process to ensure that impurities, particularly those likely to mimic the parent structure, do not slip by the purification checkpoint. For 3-pyridinecarbonitrile, 2-(trifluoromethyl)-, typical production targets purity upwards of 99% by HPLC, with moisture content well below 0.5%. Years of process optimization determine all these thresholds. We have seen the frustration of crystallization setbacks and undesirable byproducts during attempts at scale-up, so our material consistently arrives with the same chemical fingerprint. No wildcards, no unexpected peaks in the NMR spectra reported by users.
The inclusion of a trifluoromethyl group transforms not only the electronic profile but also the volatility and solubility profile of the compound compared to standard pyridinecarbonitriles. The high electronegativity and steric demands of trifluoromethyl require different handling procedures right down to temperature-controlled crystallization tanks and air-exclusion during packaging. Insufficient attention during these steps often shows up later on, especially during downstream coupling or substitution reactions. Debugging production failures traces back to off-spec intermediates more often than to mistakes in the later stages.
Our own pilot plant runs gave us plenty of headaches before we figured out how much the trifluoromethyl group affects the subtle balance between solubility and precipitation, even during seemingly routine washing and drying stages. Unlike many other pyridine derivatives, this analog shows greater resilience against hydrolysis, yet its volatiles profile means tight handling is not optional. Colleagues in the lab who have tried to shortcut the controlled atmospheric requirements often find out quickly why strict adherence pays off. Each drum ships tightly sealed, with internal desiccant packs, based on lessons learned from several ruined early shipments.
One common misconception comes from assuming "all pyridinecarbonitriles behave similarly." The trifluoromethyl substituent changes that equation. Adding fluorinated groups, especially trifluoromethyl, tends to crank up lipophilicity and tune electronic properties. In the case of 3-pyridinecarbonitrile, 2-(trifluoromethyl)-, it enables unique routes for Suzuki and Buchwald-Hartwig cross-couplings that less bulky analogs simply cannot match, opening new access to bioactive frameworks found in modern drug screens.
We have encountered customers who switched from regular pyridinecarbonitriles to this analog and discovered their catalysts or ligands required recalibration. Several reaction routes simply fail unless the material meets higher purity specs, because trace non-fluorinated analogs act as silent inhibitors. We track these kinds of failures closely and adapt our cleaning, storage, and analysis cycles as a result. For teams optimizing syntheses that involve selective functionalization or directed metalation, experience teaches that ignoring these subtle differences leads to costly false starts.
Demand for 3-pyridinecarbonitrile, 2-(trifluoromethyl)- now comes mostly from medicinal chemistry and agrochemical discovery groups. Several production-scale partners use it as a feedstock in fluorinated heterocycle assembly. Most feedback points to the trifluoromethyl group acting as a metabolic block, conferring stability against enzymatic breakdown and improving the bioavailability profile of the resulting compound. The molecule earns repeat orders where robust, fluorine-rich scaffolds are at a premium.
Theoretically, any pyridinecarbonitrile could serve as a precursor for nitrile-to-amide conversions or reductive couplings, but in practice, the electron-withdrawing effect of the trifluoromethyl group drives reactivity down specific, more selective paths. We have run side-by-side demonstrations for R&D partners, showing that the more basic pyridinecarbonitriles allow for a broader swath of reactions, but with poorer control over regioselectivity and often more hassle in purification. For those targeting analogs of newer fungicides, insecticides, or kinase inhibitors, this compound offers the exact behavior needed at scale.
Procuring and using 3-pyridinecarbonitrile, 2-(trifluoromethyl)- requires different habits versus less challenging analogs. Our lab staff follow a strict, documented regimentation—double-bagging, working under inert gas, always storing below 20°C. These practices are not wishful thinking, but direct responses to batch failures we have experienced. For instance, omitting a drying step once led to a cascade of unpredictable results, with downstream reactions stalling or generating stubborn impurity sets.
Packing and transport echo the same priorities. We use nitrogen-flushed, opaque HDPE containers, avoiding metal whenever possible to fend off unwanted catalysis. Technical staff keep a chemical log for each outgoing batch where every deviation, even minor temperature excursions during transit, gets flagged and reviewed. This attention to detail traces to field experience: importing partners routinely ask for documentation on handling, and we witness first-hand what poor packaging or a missing desiccant can do after a week of travel.
Manufacturing this compound typically starts with halogen exchange on a pre-fluorinated precursor, using strong bases under cooled conditions. The energy and material inputs are substantial, but over the past decade, we have adopted solvent recovery and closed-loop quenching to minimize waste. Fluorinated waste streams carry serious environmental responsibilities, so we invest in on-site neutralization and track effluent with real-time fluorine sensors. From early pilot batches, we learned the hard way that downstream water treatment plants cannot handle this class of waste, so everything is managed in-house.
It’s impossible to overstate the care needed for site safety. Handling trifluoromethyl reagents and off-gas requires robust vent scrubbing and vigilant monitoring. History shows that incidents almost always result from bypassed safety interlocks or shortcutting PPE protocols. Our training emphasizes not just "what" to do, but "why" it’s enforced. This culture of transparency has improved morale and cut down on lost-time accidents.
Customers often ask what practical difference a single substituent makes. From our perspective, the trifluoromethyl group brings more than a theoretical shift in electron density. Modern medicinal chemistry increasingly selects for compounds that balance metabolic stability with precise binding to biological targets. Even a small change, such as adding a trifluoromethyl to the pyridine ring, leads directly to altered polarity, different interaction patterns in protein-ligand docking, and, in many cases, new patentable space.
We support several early-stage programs where project deadlines crank up the pressure for high-throughput transformation of starting materials. It soon becomes clear why the synthetic route using this compound enables certain amide and amine derivatives unobtainable otherwise. This advantage plays a key role in lead optimization, where access to new chemical space at stable, scalable intermediates proves essential.
Process chemists, trying to streamline synthesis of novel molecules, often confront trade-offs between reaction time and product quality. Based on internal records and feedback from key accounts, using 3-pyridinecarbonitrile, 2-(trifluoromethyl)- reliably shortens overall cycle time by simplifying downstream separation and reducing side-product formation. With traditional analogs, teams report repeated column purifications or recourse to laborious crystallizations to dig out their desired product.
Our audits track lot-to-lot stability and have consistently found that stringent control of input material quality correlates directly with overall yield and process economy for end users. Taking shortcuts with feedstock may show a temporary cost savings, only for bottlenecks to erupt in purification or even formulation down the line. That is why process engineers in charge of complex synthesis prefer a consistently pure input, particularly one that simplifies process analytical technology (PAT) integration.
As a primary manufacturer, we supply a complete trace record for every lot of 3-pyridinecarbonitrile, 2-(trifluoromethyl)- shipped. Traceability starts with precursor sourcing audits and logs of every intermediate purification. Any time a customer’s QA group contacts us about a potential material issue, we can go back to the exact temperature record and solvent batch. Our internal compliance group partners closely with procurement and production staff to ensure only validated processes reach the customer’s bench, especially as regulatory oversight grows for fluorinated building blocks.
For supply chain managers and regulatory liaisons, knowing that a compound is not just "in-spec," but also documented at every stage, offers less disruption when authorities or auditors scrutinize inputs. Over the past few years, market demand has shifted toward rock-solid supplier reliability and responsive follow-up during regulatory submissions. Everyone benefits when source documentation is ready to support fast-moving projects such as IND filings or product registration reviews.
Our business has changed as the appetite for fluorinated scaffolds grows. Pharmaceutical customers increasingly evaluate lead compounds where backbone trifluoromethyl-pyridines impart favorable ADME properties. These trends translate into increased production volumes, but also tighter expectations. End users want to see stability data, kinetic solubility studies, and a full breakdown of detected volatiles and possible trace contaminants.
We learned from a few hard lessons with customers in crop protection. Agrochemical innovators often demand slightly more lenient impurity specs, but as regulatory thresholds worldwide grow stricter, we carry over pharmaceutical-grade controls into every lot. Project managers from those companies now push for co-packaged certificates that catch even trace isomers or early hydrolyzation artifacts. Working in direct partnership with them, we implemented additional NMR and LC-MS checkpoints, and collaborative problem-solving cycles have reduced out-of-spec returns to almost zero.
Manufacturing challenges sometimes strike unexpectedly, especially with moisture-sensitive intermediates. During humid months, we deploy extra dessication and rotate inventory more frequently. Shipping interruptions—arising from anything from customs delays to extreme temperatures—also pose risks. To counter these, we stagger shipments and keep extra buffer stock on hand at known regional bottlenecks.
Collaboration pays off in feedback cycles. Several major pharma and agro partners now provide batchwise reaction yield and NMR data in return for shared QA learnings. Our adjustments—some as simple as slowing a quench or doubling filtrate washes—end up documented in a joint log accessible across R&D and production. The exchange directly improved both our production stats and the performance of material in high-value syntheses.
We’ve watched the impact of new analytical techniques transform QC efforts. Faster LC-MS and more sensitive fluorine-NMR now pinpoint batch-to-batch deviations that older HPLC methods missed. It’s made possible more reliable scale-up for customers shifting from bench to pilot-scale reactors. Process automation now helps maintain setpoints during critical stages of halogen exchange and crystallization, leading to fewer deviations and more repeatable performance.
Future developments include extending process automation across even more steps, integrating batch records into cloud-accessible databases, and testing greener solvents for precursor syntheses. We have also begun collaborating with academic partners who uncover new applications for 3-pyridinecarbonitrile, 2-(trifluoromethyl)- in advanced materials and niche catalytic frameworks, expanding the compound’s relevance outside pure life sciences.
Our task is straightforward: produce 3-pyridinecarbonitrile, 2-(trifluoromethyl)- at a quality where scientists trust each batch as an asset, not a question mark. Drawing from years at the intersection of discovery chemistry and process scale-up, we see this molecule’s value arise from reliable performance and tight control. The difference between theoretical chemistry and bench-top results often comes down to supplier practice, not paperwork.
Each container stands for hundreds of hands-on checks, deliberate feedback cycles, and continuous investment in process know-how. For researchers, development chemists, and production engineers, a compound that performs the same every time, with every lot, enables them to skip troubleshooting and focus on what they do best—pushing boundaries and discovering the next breakthrough.