5-Chloro-M-Xylene Synthesis Route & Technical Specs
Technical Validation of CAS 556-97-8 Equivalency Against High-Purity Reference Standards
In pharmaceutical process development, verifying the chemical identity and equivalency of intermediates is critical for regulatory filing and batch consistency. 5-Chloro-1,3-xylene, identified by CAS 556-97-8, serves as a pivotal chemical intermediate in the construction of complex aromatic scaffolds. When evaluating supply chains, R&D managers must ensure that the physical and chemical properties align with established reference materials, such as those historically cataloged under codes like FC106368, to guarantee downstream reaction fidelity.
At NINGBO INNO PHARMCHEM CO.,LTD., we prioritize structural verification through rigorous spectroscopic analysis. Our validation process confirms that the 1-Chloro-3, 5-dimethylbenzene structure maintains consistent bond angles and electron density distributions required for electrophilic aromatic substitution. This level of validation ensures that the material behaves predictably during nitration or halogenation steps, minimizing the risk of unexpected byproduct formation during scale-up.
5-Chloro-1,3-xylene Purity Grades and Impurity Profiles for Pharmaceutical Intermediates
Understanding the impurity profile is as crucial as the primary assay value. While standard certificates of analysis report main peak purity, experienced process chemists know that trace isomers can significantly impact catalytic cycles. For 5-Chloro-m-xylene, the presence of trace 2-chloro isomers or residual chlorinated solvents can act as catalyst poisons in palladium-mediated cross-coupling reactions.
From a field engineering perspective, we have observed that trace impurities affecting final product color during mixing are often linked to oxidative degradation products formed during storage rather than synthesis residuals. Specifically, exposure to ambient light over extended periods can induce slight yellowing, which correlates with the formation of conjugated polymeric species. This is a non-standard parameter often overlooked in basic COAs but is critical for manufacturers producing white or color-sensitive active pharmaceutical ingredients (APIs). Our production controls mitigate this through light-protected storage and nitrogen blanketing during the aromatic chlorination workup phase.
We offer various purity grades tailored to the specific needs of the synthesis route. Whether for early-stage discovery or commercial manufacturing, selecting the appropriate grade ensures that purification burdens do not bottleneck the overall process throughput.
Critical COA Parameters for 5-Chloro-m-xylene Pharmaceutical Intermediate Synthesis Route
For technical procurement, relying on standard physical constants is essential for process design. The following table outlines the key technical parameters expected for high-quality 5-Chloro-1,3-xylene. These values serve as a benchmark for incoming quality control (IQC).
| Parameter | Standard Reference Value | Acceptance Range | Test Method |
|---|---|---|---|
| Chemical Name | 5-Chloro-1,3-xylene | N/A | GC-MS |
| CAS Number | 556-97-8 | Exact Match | Database Verification |
| Molecular Formula | C8H9Cl | Exact Match | Elemental Analysis |
| Boiling Point | 187 °C | ± 2 °C | Distillation |
| Density | 1.04 g/cm³ | 1.03 - 1.05 g/cm³ | Pychnometry |
| Refractive Index | 1.5275 (estimate) | ± 0.005 | Refractometry |
| Purity (GC Area %) | > 98% | Refer to Batch COA | Gas Chromatography |
It is imperative to note that while these standard values provide a baseline, actual batch specifications may vary slightly based on the specific manufacturing run. Please refer to the batch-specific COA for exact numerical specifications regarding purity and impurity limits. Our quality assurance team ensures that all Chloroxylene derivative shipments meet the agreed-upon technical specifications before release.
Bulk Packaging Options and Storage Stability for 5-Chloro-m-xylene Scale-Up
Scaling a pharmaceutical intermediate synthesis route requires robust logistics planning. 5-Chloro-1,3-xylene is typically supplied as a liquid at room temperature, with a melting point estimated around -41.95°C. This physical state simplifies pumping and metering in large-scale reactors but necessitates careful packaging to prevent leakage and contamination.
We provide bulk packaging options suitable for industrial consumption, including 210L steel drums and IBC (Intermediate Bulk Container) totes. These containers are selected based on their compatibility with chlorinated aromatic hydrocarbons to ensure integrity during transit. From a storage stability perspective, maintaining a cool, dry environment is recommended. While some literature suggests storage at 2-8°C for small laboratory quantities, bulk storage typically focuses on preventing temperature extremes that could expand the liquid volume and compromise container seals.
Proper handling procedures must be followed to minimize exposure to moisture and strong oxidizing agents. Our logistics team coordinates directly with freight forwarders to ensure that all physical packaging requirements are met for safe global delivery, focusing strictly on containment and hazard communication without making regulatory environmental guarantees.
Frequently Asked Questions
What is the typical lead time for bulk orders of CAS 556-97-8?
Lead times vary based on current inventory levels and production scheduling. For standard bulk quantities, we typically require a confirmation period to allocate stock from our manufacturing lines. Please contact our sales team for a specific timeline related to your project volume.
Can you provide custom packaging for laboratory-scale research?
Yes, we accommodate various packaging sizes to support R&D phases before full scale-up. Options range from small glass bottles for sampling to larger drums for pilot plant trials. Custom labeling and documentation can be arranged upon request.
What documentation is included with each shipment?
Every shipment includes a Certificate of Analysis (COA) detailing batch-specific test results, along with a Safety Data Sheet (SDS). Additional technical documents regarding the manufacturing process can be provided under confidentiality agreements.
Is technical support available for process optimization?
Our engineering team offers technical support to assist with integration into your existing synthesis workflows. We can discuss handling parameters and compatibility with common reagents used in aromatic substitution reactions.
Sourcing and Technical Support
Securing a reliable supply of high-quality intermediates is fundamental to maintaining production schedules in the pharmaceutical industry. NINGBO INNO PHARMCHEM CO.,LTD. is committed to providing consistent quality and transparent technical data to support your development goals. We focus on delivering materials that meet rigorous physical specifications to ensure your downstream processes run smoothly.
To request a batch-specific COA, SDS, or secure a bulk pricing quote, please contact our technical sales team.