Industrial Purity Specifications For Bmpbr Cas 94280-72-5
- Target Purity: Commercial grades typically exceed 97.0% (T) with strict controls on residual halides and moisture.
- Critical Impurities: Monitoring of N-methylpiperidine and 1-bromobutane residuals is essential for electrolyte applications.
- Supply Chain: Bulk procurement requires validated COAs and inert atmosphere packaging to prevent hygroscopic degradation.
In the realm of advanced organic synthesis and energy storage materials, the specification of quaternary ammonium salts is paramount. 1-Butyl-1-methylpiperidinium Bromide, often abbreviated as BMPBr, serves as a critical precursor for ionic liquids used in supercapacitors, batteries, and as phase transfer catalysts. For procurement managers and process chemists, understanding the nuance between laboratory-grade and industrial purity is vital for maintaining reaction yields and product stability. As a premier global manufacturer, NINGBO INNO PHARMCHEM CO.,LTD. adheres to rigorous analytical standards to ensure batch-to-batch consistency for large-scale operations.
Defining Industrial-Grade Purity for 1-Butyl-1-methylpiperidinium Bromide
The chemical identity of this compound, defined by the molecular formula C10H22BrN and CAS number 94280-72-5, dictates specific physical properties that must be met for industrial acceptance. While laboratory samples may tolerate higher variance, bulk manufacturing requires a purity profile that supports downstream processing without extensive purification steps. The standard industrial specification typically demands a purity level greater than 97.0% as determined by titration or NMR analysis.
The physical appearance is another key indicator of quality. High-grade material should present as a white to almost white powder or crystal. Discoloration, such as a shift toward light yellow, often indicates oxidative degradation or the presence of organic impurities resulting from an optimized synthesis route. Furthermore, the melting point is a critical physical constant, established at approximately 230°C. Deviations from this thermal profile can signal the presence of isomeric impurities or incomplete quaternization during production.
Key Impurity Thresholds: N-Methylpiperidine and Water Content
For applications in sensitive sectors like semiconductor materials or electrolyte formulation, the threshold for specific impurities is strictly controlled. The quaternization process involves reacting N-methylpiperidine with 1-bromobutane. Consequently, residual starting materials are the primary contaminants of concern. Additionally, due to the ionic nature of the salt, the compound is hygroscopic and requires storage under an inert atmosphere at room temperature to prevent water uptake, which can severely impact performance in electrochemical cells.
The following table outlines the typical specification limits expected for high-quality bulk supply:
| Parameter | Specification Limit | Test Method | Impact on Application |
|---|---|---|---|
| Purity (Main Component) | > 97.0% (T) | NMR / HPLC | Ensures consistent reaction stoichiometry |
| Water Content (Karl Fischer) | < 0.5% | Karl Fischer Titration | Prevents hydrolysis in battery electrolytes |
| Residual N-Methylpiperidine | < 0.3% | GC-MS | Reduces odor and basicity issues |
| Residual 1-Bromobutane | < 0.2% | GC-MS | Minimizes alkylation side reactions |
| Appearance | White to Almost White | Visual / Colorimetry | Indicates lack of oxidative degradation |
Maintaining low water content is particularly challenging due to the hygroscopic nature of the salt. Industrial packaging must utilize high-barrier materials, often sealed under nitrogen or argon, to maintain these specifications during transit. Failure to control moisture can lead to clumping and altered solubility profiles, complicating the manufacturing process for downstream users.
Quality Assurance Protocols: NMR Validation and Batch Consistency
Reliable supply chains depend on robust quality assurance protocols. Every batch produced should be accompanied by a comprehensive Certificate of Analysis (COA). This document verifies that the material meets the agreed-upon specifications regarding molecular weight (236.2 g/mol), exact mass, and impurity profiles. Advanced structural validation is typically performed using 1H NMR and 13C NMR spectroscopy to confirm the quaternary structure and identify any unexpected byproducts.
When sourcing high-purity 1-Butyl-1-methylpiperidinium Bromide, buyers should request retrospective data on batch consistency. This includes verifying the InChI Key (WYABBCZMFVULEF-UHFFFAOYSA-M) and ensuring the Canonical SMILES structure matches the provided documentation. Consistency in the rotatable bond count and heavy atom count during theoretical modeling also correlates with physical batch performance. For research use only (RUO) applications transitioning to pilot scale, having access to these detailed structural confirmations reduces the risk of scale-up failures.
Bulk Procurement and Commercial Considerations
The bulk price of BMPBr is influenced by the cost of raw materials, specifically N-methylpiperidine and alkyl halides, as well as the energy costs associated with purification and drying. However, the total cost of ownership should be evaluated based on purity rather than just unit price. Lower purity grades may require additional recrystallization or drying steps, which increases labor and solvent costs.
Procurement strategies should prioritize suppliers capable of delivering multi-kilogram or ton-scale quantities without compromising specifications. NINGBO INNO PHARMCHEM CO.,LTD. maintains a robust production capacity to meet the demands of the pharmaceutical, agrochemical, and materials science industries. By leveraging established logistics networks, a reliable partner ensures that the inert atmosphere packaging remains intact upon delivery, preserving the integrity of the white to light yellow crystalline powder.
Conclusion
In summary, securing high-quality 1-Butyl-1-methylpiperidinium Bromide requires a deep understanding of industrial purity specifications, impurity thresholds, and quality assurance protocols. From monitoring water content to validating the synthesis route via NMR, every step ensures the material performs optimally in complex applications ranging from OLED materials to phase transfer catalysis. Partnering with an experienced manufacturer ensures access to validated COAs and consistent bulk supply, mitigating risk in your production pipeline.