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2-(4-Fluorophenyl)-3-Oxopropanenitrile CAS NO 398-42-5
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CAS No.:398-42-5
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-(4-Fluorophenyl)-3-Oxopropanenitrile is a versatile fluorinated aromatic intermediate with a reactive oxopropanenitrile moiety. This compound is valued for its role as a key building block in the synthesis of complex heterocyclic and pharmaceutical compounds. It is primarily sought after by research and development chemists and process engineers in the pharmaceutical, agrochemical, and advanced materials sectors.
Application
- Pharmaceutical Intermediate: A crucial precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing fluorinated aromatic systems for enhanced metabolic stability and bioavailability.
- Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the fluorine atom can improve pesticidal activity and environmental persistence.
- Organic Synthesis Building Block: Serves as a versatile synthon for constructing complex molecules via reactions at the carbonyl and nitrile functional groups, such as Knoevenagel condensations and cyclizations.
- Material Science Research: Investigated as a monomer or precursor for specialty polymers and advanced organic electronic materials due to its conjugated structure.
- Chemical Research & Development: Employed in academic and industrial R&D labs for method development and the discovery of new chemical entities.
Basic Information
| Product Name | 2-(4-Fluorophenyl)-3-Oxopropanenitrile |
| CAS No. | 398-42-5 |
| Molecular Formula | C9H6FNO |
| Molecular Weight | 163.15 g/mol |
| Synonyms | 4-Fluorobenzoylacetonitrile; 3-Oxo-3-(4-fluorophenyl)propanenitrile; 4'-Fluorobenzoylacetonitrile; 1-(4-Fluorophenyl)-1,3-butanedione-3-carbonitrile; 4-Fluorophenyl 3-oxopropanenitrile; (4-Fluorobenzoyl)acetonitrile; 3-(4-Fluorophenyl)-3-oxopropanenitrile |
| EINECS | Contact for details |
Quality Control
Our 2-(4-Fluorophenyl)-3-Oxopropanenitrile is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide Certificates of Analysis (COA) with every shipment, detailing all relevant specifications. Our quality commitment supports applications requiring high-purity intermediates for GMP and non-GMP synthesis.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases, strong oxidizing agents, and sources of ignition. For long-term storage, consider an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Melting Point | Contact for details |
| Loss on Drying | ≤ 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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