Industrial Purity Specifications for 1,2-Difluoro-4-Methyl-5-Nitrobenzene
- High-Purity Standards: Typically exceeds 98.0% purity via GC analysis for pharmaceutical intermediates.
- Technical Specs: Molecular Formula C7H5F2NO2 with a molecular weight of 173.12 g/mol.
- Bulk Procurement: Scalable manufacturing process ensuring consistent supply for global industrial applications.
In the realm of advanced organic synthesis, fluorinated aromatic compounds serve as critical building blocks for pharmaceuticals and agrochemicals. Among these, 1,2-Difluoro-4-methyl-5-nitrobenzene stands out due to its unique reactivity profile and stability. For process chemists and procurement managers, understanding the technical nuances of this intermediate is essential for optimizing downstream reaction yields and ensuring regulatory compliance. As a premier global manufacturer, NINGBO INNO PHARMCHEM CO.,LTD. is dedicated to supplying this high-value intermediate with rigorous quality control standards.
Technical Specifications and Physical Properties
When evaluating raw materials for large-scale production, precise physical data is required to design safe and efficient handling protocols. The chemical structure consists of a benzene ring substituted with two fluorine atoms, a methyl group, and a nitro group. This arrangement influences both the boiling point and solubility characteristics, which are vital for purification steps such as distillation or recrystallization.
| Property | Specification |
|---|---|
| Chemical Name | 1,2-Difluoro-4-methyl-5-nitrobenzene |
| CAS Number | 127371-50-0 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.12 g/mol |
| Appearance | White to yellowish powder or clear liquid |
| Purity (GC) | ≥ 98.0% |
| Storage Conditions | Sealed in dry environment at room temperature |
The density and flash point data indicate that this compound requires careful handling during heating processes. Typical industrial grades exhibit a density around 1.374 g/cm³ and a flash point near 121 °C. These parameters dictate the classification of the substance under transport regulations, often falling under hazard class IRRITANT with specific GHS signal words such as Warning. Proper storage involves keeping the material sealed in a dry environment to prevent hydrolysis or degradation of the nitro group.
Synthesis Route and Manufacturing Process
The manufacturing process for fluorinated nitrotoluenes generally involves the nitration of corresponding difluorotoluene precursors. A common synthesis route utilizes concentrated sulfuric acid as a catalyst and potassium nitrate as the nitrating agent. The reaction is typically initiated at low temperatures (0 °C) to control exothermicity and then gradually warmed to facilitate completion.
Optimizing this reaction is critical for achieving high industrial purity. Side reactions, such as over-nitration or oxidation of the methyl group, can introduce impurities that are difficult to remove in later stages. Advanced manufacturing facilities employ precise temperature control and quenching protocols, often pouring the reaction mixture into ice followed by extraction with organic solvents like ethyl acetate. The organic layers are then dried over anhydrous sodium sulfate and concentrated under reduced pressure. Yields in optimized processes can exceed 90%, providing a cost-effective pathway for bulk production.
For buyers evaluating suppliers, it is crucial to request detailed information on the purification steps. Whether through vacuum distillation or column chromatography, the method used significantly impacts the final impurity profile. When sourcing high-purity 1,2-Difluoro-4-methyl-5-nitrobenzene, buyers should ensure the vendor provides comprehensive data on residual solvents and heavy metals.
Quality Control and Certificate of Analysis (COA)
In pharmaceutical supply chains, the COA is the definitive document verifying product quality. A robust Certificate of Analysis for this intermediate should include data from Gas Chromatography (GC) or High-Performance Liquid Chromatography (HPLC). The standard benchmark for industrial purity is typically greater than 98.0% area normalization. However, for specific drug substance applications, thresholds may rise to 99.0% or higher.
Key parameters listed on a professional COA include:
- Identity: Confirmed via IR or NMR spectroscopy.
- Assay: Quantitative determination of the main component.
- Impurities: Listing of known related substances and total impurities.
- Residual Solvents: Compliance with ICH Q3C guidelines.
- Heavy Metals: Ensuring safety limits are met for downstream API synthesis.
NINGBO INNO PHARMCHEM CO.,LTD. maintains strict quality assurance protocols, ensuring that every batch shipped meets these rigorous specifications. Consistency in the manufacturing process allows for reliable reproducibility in client reactions, minimizing the risk of batch failures during scale-up.
Commercial Considerations and Bulk Pricing
Market dynamics for fluorinated intermediates are influenced by raw material availability and regulatory compliance costs. While laboratory-scale prices (per gram) are significantly higher due to packaging and handling overheads, bulk price structures for kilogram or ton quantities offer substantial economies of scale. Procurement strategies should focus on long-term contracts with verified manufacturers to secure stable pricing and supply continuity.
Competitive analysis suggests that prices vary based on purity grades and packaging options. Standard industrial packaging often includes drums or lined bags suitable for moisture-sensitive materials. Buyers should also consider the total cost of ownership, which includes shipping, customs clearance, and any necessary testing upon receipt. Establishing a relationship with a reliable global manufacturer mitigates supply chain risks and ensures access to technical support for process optimization.
Safety and Handling Guidelines
Safety is paramount when handling nitro-aromatic compounds. This substance is classified as an irritant and may be harmful if swallowed, in contact with skin, or if inhaled. Standard precautionary statements include wearing protective gloves, eye protection, and ensuring adequate ventilation. In case of exposure, immediate medical attention is advised. Waste disposal must comply with local environmental regulations, ensuring that no hazardous residues enter the ecosystem.
In conclusion, securing a reliable supply of 1,2-Difluoro-4-methyl-5-nitrobenzene requires a partner who understands both the chemical complexities and the commercial demands of the industry. By prioritizing industrial purity, transparent documentation, and scalable production capabilities, NINGBO INNO PHARMCHEM CO.,LTD. supports the global pharmaceutical and agrochemical sectors with premium intermediates.