Description

3-Cyano-5-Fluorophenylacetylene is a high-value, multi-functional aromatic acetylene building block. This compound matters for its role as a critical intermediate in modern synthetic chemistry, enabling the construction of complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for applications such as click chemistry, Sonogashira cross-coupling, and the synthesis of bioactive molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring a fluorinated aromatic core.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and pesticides where the cyano and fluoro substituents modulate biological activity.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialty polymers, liquid crystals, and organic electronic materials.
• Click Chemistry Reagent: The terminal alkyne group makes it an ideal substrate for Huisgen 1,3-dipolar cycloaddition (copper-catalyzed azide-alkyne cycloaddition) to create triazole linkages.
• Cross-Coupling Reactions: A versatile substrate for palladium-catalyzed Sonogashira, Heck, and other cross-coupling reactions to form carbon-carbon bonds.
• Ligand and Catalyst Development: Used to synthesize novel ligands for catalysis or as a structural component in organometallic complexes.

Basic Information

Product Name	3-Cyano-5-Fluorophenylacetylene
CAS No.	872122-56-0
Molecular Formula	C9H4FN
Molecular Weight	145.14 g/mol
Synonyms	5-Fluoro-3-ethynylbenzonitrile; 3-Ethynyl-5-fluorobenzonitrile; 5-Fluoro-3-(ethynyl)benzonitrile; 3-Cyano-5-fluorophenylacetylene; 872122-56-0; 3-Fluoro-5-cyanophenylacetylene; Benzonitrile, 3-ethynyl-5-fluoro-; 3-Ethynyl-5-fluorobenzene carbonitrile
EINECS	Contact for details

Quality Control

Our 3-Cyano-5-Fluorophenylacetylene is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports applications requiring high-purity intermediates under cGMP and ISO 9001 guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.