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Methyl 2-Cyano-3-Fluorobenzoate CAS NO 1261476-54-3
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CAS No.:1261476-54-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 2-Cyano-3-Fluorobenzoate is a high-purity fluorinated aromatic ester building block, essential for advanced organic synthesis. Its core value lies in the strategic placement of both cyano and fluorine substituents on the benzoate ring, which enables precise molecular modifications and the introduction of key functional groups. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and intermediates.
Application
- Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), particularly in kinase inhibitor and anti-cancer drug discovery programs.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides, where the fluorine atom enhances biological activity and metabolic stability.
- Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated aromatic compounds used in electronic display materials and organic light-emitting diodes (OLEDs).
- Functional Polymer Monomer: Employed in the synthesis of specialty polymers with tailored properties such as thermal stability, chemical resistance, and specific optical characteristics.
- Cross-Coupling Reactions: An effective substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) for constructing complex biaryl systems.
- Chemical Research & Development: A versatile building block in academic and industrial R&D labs for exploring new synthetic methodologies and creating compound libraries.
Basic Information
| Product Name | Methyl 2-Cyano-3-Fluorobenzoate |
| CAS No. | 1261476-54-3 |
| Molecular Formula | C9H6FNO2 |
| Molecular Weight | 179.15 g/mol |
| Synonyms | 2-Cyano-3-fluorobenzoic acid methyl ester; Methyl 3-fluoro-2-cyanobenzoate; Benzoic acid, 2-cyano-3-fluoro-, methyl ester; 3-Fluoro-2-cyanobenzoic acid methyl ester; Methyl 3-fluoro-2-cyanobenzoate; 2-Cyano-3-fluorobenzoic acid, methyl ester; Methyl α-cyano-3-fluorobenzoate |
| EINECS | Contact for details |
Quality Control
Our Methyl 2-Cyano-3-Fluorobenzoate is manufactured under strict quality management systems. Each 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 quality attributes. Our production adheres to cGMP principles where applicable, supporting its use in regulated research and development.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed to protect from moisture.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥98.0% |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
| Heavy Metals | ≤20 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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