3-Fluorobenzotrifluoride
- CAS No.401-80-9
- GradeIndustrial / Pharmaceutical
- Availability● In Stock
High-purity 3-Fluorobenzotrifluoride (CAS 401-80-9) designed for advanced organic synthesis and pharmaceutical intermediate production.
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Product Overview
3-Fluorobenzotrifluoride, also known by its chemical synonyms α,α,α,3-Tetrafluorotoluene or 3-Fluoro(trifluoromethyl)benzene, is a critical fluorinated aromatic compound widely utilized in the fine chemical and pharmaceutical industries. As a specialized intermediate, this substance plays a pivotal role in the construction of complex molecular architectures, particularly where metabolic stability and lipophilicity are required in the final active pharmaceutical ingredient (API). Our facility produces this compound under strict quality control protocols to ensure consistency and reliability for downstream synthesis processes.
The introduction of fluorine atoms into organic molecules is a cornerstone strategy in modern medicinal chemistry. The trifluoromethyl group, combined with the meta-positioned fluorine atom on the benzene ring, offers unique electronic and steric properties that enhance the bioavailability and binding affinity of drug candidates. Consequently, 3-Fluorobenzotrifluoride serves as an essential building block for researchers and manufacturers developing novel therapeutics, agrochemicals, and advanced materials.
Key Specifications
We adhere to international standards for chemical purity and safety. Each batch undergoes rigorous analytical testing to confirm compliance with the specified parameters. The following table outlines the typical physical and chemical properties associated with our premium grade product:
| Parameter | Specification |
|---|---|
| CAS Number | 401-80-9 |
| Molecular Formula | C7H4F4 |
| Molecular Weight | 164.100 g/mol |
| Appearance | Colorless to yellow liquid |
| Assay (Purity) | ≥98.0% |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 103.4±35.0 °C at 760 mmHg |
| Melting Point | 100ºC |
| Flash Point | 7.2±0.0 °C |
| Refractive Index | 1.406 |
| Vapour Pressure | 37.4±0.2 mmHg at 25°C |
Industrial Applications
Primarily utilized as an intermediate in organic synthesis, 3-Fluorobenzotrifluoride is indispensable for the production of various high-value chemicals. Its applications extend across multiple sectors:
- Pharmaceutical Synthesis: Used as a precursor for developing drugs requiring fluorinated aromatic structures to improve metabolic stability.
- Agrochemical Development: Employed in the creation of herbicides and pesticides where fluorine substitution enhances environmental persistence and efficacy.
- Material Science: Serves as a monomer or modifier in the synthesis of specialized polymers and liquid crystals.
- Research and Development: A standard reagent for academic and industrial laboratories focusing on fluorination chemistry.
Storage and Handling
To maintain the integrity and safety of 3-Fluorobenzotrifluoride, proper storage conditions are essential. The product should be stored in a cool, ventilated place, ideally at temperatures between 2-8°C for long-term stability. Containers must be kept tightly closed when not in use to prevent moisture absorption or contamination. Given its flash point of approximately 7.2°C, appropriate fire safety measures should be implemented during storage and transportation. We recommend consulting the Safety Data Sheet (SDS) for comprehensive handling instructions and regulatory compliance information.
Our commitment to quality extends beyond the product itself. We provide comprehensive documentation, including Certificates of Analysis (COA), with every shipment. For large-scale industrial requirements, we offer flexible packaging solutions, including 250 kg drums or custom configurations based on specific logistical needs. As a global manufacturer, we ensure timely delivery and competitive bulk pricing to support your supply chain efficiency.
