4-(Trifluoromethyl)phenyl Isothiocyanate
- CAS No.1645-65-4
- GradeIndustrial / Pharmaceutical
- Availability● In Stock
High-purity 4-(Trifluoromethyl)phenyl Isothiocyanate (CAS 1645-65-4) designed for advanced organic synthesis. Reliable supply with strict quality control for pharmaceutical and agrochemical applications.
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Product Overview
4-(Trifluoromethyl)phenyl Isothiocyanate is a highly specialized fluorinated building block extensively utilized in modern organic synthesis and medicinal chemistry. As a key intermediate, this compound features a reactive isothiocyanate group attached to a trifluoromethyl-substituted benzene ring. The incorporation of the trifluoromethyl moiety is strategically significant in drug design, as it enhances metabolic stability, lipophilicity, and bioavailability of the final pharmaceutical agents. Our manufacturing process ensures consistent quality and high purity levels suitable for demanding research and industrial production scales.
We operate as a compliant B2B chemical entity, adhering to strict international safety and quality standards. This product is supplied exclusively for legitimate scientific, industrial, and pharmaceutical development purposes. Our facility employs advanced analytical techniques to verify the structural integrity and purity of every batch, ensuring that researchers and production managers receive materials that meet rigorous specifications.
Key Specifications
The following table outlines the critical physical and chemical properties of 4-(Trifluoromethyl)phenyl Isothiocyanate. These parameters are essential for process engineers and chemists when designing synthesis routes or formulation protocols.
| Parameter | Value |
|---|---|
| CAS Number | 1645-65-4 |
| Molecular Formula | C8H4F3NS |
| Molecular Weight | 203.184 g/mol |
| Appearance | White to yellow to beige to tan low melting solid |
| Assay (Purity) | ≥99.0% |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 231.3±40.0 °C at 760 mmHg |
| Melting Point | 39-43 °C (lit.) |
| Flash Point | 93.7±27.3 °C |
Industrial Applications
This isothiocyanate derivative serves as a versatile precursor in the synthesis of heterocyclic compounds, including thioureas and thiazoles, which are foundational structures in many bioactive molecules. In the pharmaceutical sector, it is employed to introduce the trifluoromethyl group into lead compounds, optimizing their pharmacokinetic profiles. Additionally, it finds application in agrochemical research where fluorinated compounds often exhibit enhanced pesticidal or herbicidal activity.
The reactivity of the isothiocyanate group allows for efficient coupling with amines and other nucleophiles, facilitating the construction of complex molecular architectures. Our clients utilize this intermediate for developing new therapeutic candidates, diagnostic agents, and advanced functional materials. The high purity grade provided ensures minimal side reactions during synthesis, leading to improved yields and simplified downstream purification processes.
Quality Assurance and Storage
Quality control is paramount in our production workflow. Each batch undergoes comprehensive testing using HPLC, NMR, and GC-MS to confirm identity and purity. A Certificate of Analysis (COA) is provided with every shipment, detailing the specific test results for that lot number. We maintain a robust supply chain capable of supporting both small-scale research requirements and large-scale commercial manufacturing needs.
For optimal stability, 4-(Trifluoromethyl)phenyl Isothiocyanate should be stored in a cool, ventilated place away from direct sunlight and moisture. The material is packaged in 200 kg drums or according to specific customer requirements to ensure safety during transit. Proper handling procedures, including the use of personal protective equipment, are recommended during laboratory or plant operations to maintain safety standards. Contact our technical team for detailed safety data sheets and custom synthesis inquiries.
