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Methyl 5-Fluoro-2-(Trifluoromethyl)Benzoate CAS NO 773873-90-8
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CAS No.:773873-90-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 5-Fluoro-2-(Trifluoromethyl)Benzoate is a high-value fluorinated aromatic ester building block essential for advanced organic synthesis. Its unique structure, featuring both fluorine and trifluoromethyl substituents, imparts significant electronic and steric properties to target molecules, making it a critical intermediate for research and development. This compound is primarily sought after by pharmaceutical, agrochemical, and advanced material scientists for the creation of novel active ingredients and functional materials.
Application
- Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, oncology, and anti-inflammatory applications.
- Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the fluorine and trifluoromethyl groups enhance biological activity and environmental stability.
- Liquid Crystal & OLED Material Precursor: Serves as a starting material for synthesizing fluorinated aromatic cores used in electronic display technologies and organic light-emitting diodes (OLEDs).
- Polymer & Specialty Chemical Modifier: Incorporated into polymer chains to alter physical properties such as thermal stability, chemical resistance, and surface energy for high-performance coatings and resins.
- Cross-Coupling Reactions: An excellent substrate for Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to construct complex biaryl systems.
- Fluorine Chemistry Research: A valuable reagent for studying structure-activity relationships (SAR) and the effects of fluorine substitution in medicinal and material chemistry.
Basic Information
| Product Name | Methyl 5-Fluoro-2-(Trifluoromethyl)Benzoate |
| CAS No. | 773873-90-8 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.14 g/mol |
| Synonyms | 5-Fluoro-2-(trifluoromethyl)benzoic acid methyl ester; Methyl 5-fluoro-α,α,α-trifluoro-o-toluate; Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester; 2-(Trifluoromethyl)-5-fluorobenzoic acid methyl ester; Methyl 5-fluoro-2-trifluoromethylbenzoate; 773873-90-8; Methyl 5-fluoro-α,α,α-trifluoro-2-toluate |
| EINECS | Contact for details |
Quality Control
Our Methyl 5-Fluoro-2-(Trifluoromethyl)Benzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your most demanding synthesis workflows.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from strong bases and oxidizing agents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥98.0% (Area %) |
| Purity (GC) | ≥97.0% |
| Melting Point | Contact for details |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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