Industrial Purity Specifications for 2-Chloro-5-Fluoro-3-Nitropyridine
- Target Assay: Commercial grades typically require ≥98% to 99% purity for effective downstream synthesis.
- Critical Impurities: Control of isomeric byproducts and residual halogens is essential for reaction yield optimization.
- Storage Stability: Requires inert atmosphere storage at 2-8°C to prevent degradation of the nitro-pyridine core.
In the landscape of fine chemical intermediates, 2-Chloro-5-fluoro-3-nitropyridine (CAS: 136888-21-6) stands out as a critical building block for pharmaceutical and agrochemical development. The efficacy of downstream coupling reactions, particularly nucleophilic aromatic substitutions, is directly correlated with the industrial purity of the starting material. Procurement teams must evaluate not only the price per kilogram but also the robustness of the quality assurance protocols behind the supply chain.
At NINGBO INNO PHARMCHEM CO.,LTD., we understand that consistent batch-to-batch reproducibility is the cornerstone of large-scale production. This technical overview details the specification standards, analytical verification methods, and synthesis considerations necessary for securing high-quality bulk supplies.
Technical Specifications and Physical Properties
Understanding the physicochemical profile of the compound is the first step in quality verification. While isomers such as 2-Chloro-3-nitro-5-fluoropyridine exist, precise identification via CAS number is mandatory to ensure the correct regiochemistry for your specific synthesis route. The following table outlines the standard technical parameters expected for industrial-grade material.
| Property | Specification |
|---|---|
| CAS Number | 136888-21-6 |
| Molecular Formula | C5H2ClFN2O2 |
| Molecular Weight | 176.53 g/mol |
| Appearance | White to Light Yellow Solid |
| Purity (HPLC) | ≥ 98.0% (Typical Industrial Grade) |
| Boiling Point | ~247.0 °C (Predicted) |
| Density | ~1.595 g/cm³ (Predicted) |
| Storage Conditions | Under inert gas (Nitrogen/Argon) at 2-8°C |
Analytical Methods for Verifying Purity
Reliable procurement depends on verified data. A comprehensive Certificate of Analysis (COA) should accompany every shipment, detailing the results of multiple analytical techniques. For heterocyclic compounds containing both chloro and fluoro substituents, single-method verification is often insufficient.
High-Performance Liquid Chromatography (HPLC)
HPLC is the primary method for determining assay purity. Industrial standards typically demand a main peak area of no less than 98%. Impurities greater than 0.1% should be identified, particularly isomeric byproducts that may compete in subsequent nucleophilic attacks.
Nuclear Magnetic Resonance (NMR)
1H and 19F NMR spectroscopy are critical for confirming the substitution pattern on the pyridine ring. This distinguishes the target material from structural isomers that may have similar mass spectra but different reactivity profiles.
Residual Solvent Analysis
Given the manufacturing process often involves chlorinating agents and organic solvents, GC-headspace analysis is required to ensure residual levels comply with ICH Q3C guidelines. Common solvents to monitor include ethyl acetate, hexane, and phosphorus oxychloride derivatives.
Synthesis Route and Process Optimization
The production of this fluorinated pyridine derivative generally involves the chlorination of a corresponding hydroxypyridine precursor. A common general procedure involves reacting 3-fluoro-5-nitropyridin-2-ol with phosphorus trichloride and phosphorus pentachloride at controlled temperatures (approx. 60 °C).
Reaction yield is a key indicator of process maturity. Efficient manufacturing protocols achieve yields exceeding 95% after purification via silica gel column chromatography or recrystallization. Scaling this synthesis route from laboratory to industrial tonnage requires precise thermal management to prevent decomposition of the nitro group. When sourcing high-purity materials, buyers should verify that the supplier has optimized these exothermic steps to minimize hazard risks and maximize bulk price efficiency.
For organizations seeking a partner with proven scalability, collaborating with an established global manufacturer ensures access to consistent feedstock and regulatory support.
Commercial Considerations and Bulk Procurement
Market pricing for specialized heterocycles fluctuates based on raw material availability and purification costs. While small-scale research quantities (grams) command a premium, industrial contracts (kilograms to tons) benefit from significant economies of scale.
| Packaging Size | Typical Application | Procurement Focus |
|---|---|---|
| 1g - 25g | Lab Research / Method Development | Certificate of Analysis Accuracy |
| 100g - 1kg | Pilot Plant / Scale-up | Batch Consistency |
| 5kg - 25kg+ | Commercial Production | Supply Chain Reliability & Price |
Lead times are another critical factor. Domestic production capabilities, such as those maintained by NINGBO INNO PHARMCHEM CO.,LTD., often provide shorter lead times compared to multi-tiered distribution networks. Secure packaging under inert gas is non-negotiable to maintain stability during transit.
Safety and Regulatory Compliance
Handling fluorinated nitro-pyridines requires strict adherence to safety protocols. The compound is classified under GHS07 with warning signals. Key hazard statements include H302 (Harmful if swallowed), H315 (Causes skin irritation), and H335 (May cause respiratory irritation).
- Storage Class: Combustible Solids (Class 11).
- HS Code: 2933399990.
- Precautionary Statements: Use personal protective equipment (P280), avoid breathing dust (P261), and ensure adequate ventilation.
Proper documentation, including Safety Data Sheets (SDS) and Certificates of Origin (COO), is essential for customs clearance and regulatory compliance in regions subject to REACH or TSCA regulations. Ensuring your supplier provides up-to-date documentation mitigates logistical risks and ensures smooth importation processes.
Conclusion
Securing high-quality 2-Chloro-5-fluoro-3-nitropyridine is more than a transaction; it is a strategic decision impacting the success of your final product synthesis. By prioritizing industrial purity, verifying analytical data through rigorous COA review, and partnering with experienced manufacturers, procurement teams can safeguard their production timelines. Focus on suppliers who demonstrate transparency in their manufacturing process and offer competitive bulk price structures without compromising on safety or quality standards.