Description

4-Ethynyl-3-Fluorobenzonitrile is a high-value, multi-functional aromatic nitrile building block featuring both a terminal alkyne and a fluorine substituent. This unique molecular structure makes it a critical intermediate for the synthesis of complex molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and material science industries for applications in medicinal chemistry, ligand synthesis, and the creation of novel polymers or electronic materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in kinase inhibitor and oncology drug discovery programs.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and plant growth regulators.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers, resins, and advanced organic electronic materials.
• Ligand and Catalyst Development: The ethynyl group is utilized in click chemistry (e.g., CuAAC reactions) and for constructing complex chelating ligands in catalysis.
• Chemical Biology Probes: Employed in the synthesis of molecular probes and tags for bio-conjugation and imaging studies.
• Organic Synthesis Building Block: A versatile synthon for constructing complex heterocycles and functionalized aromatic systems via Sonogashira and other cross-coupling reactions.

Basic Information

Product Name	4-Ethynyl-3-Fluorobenzonitrile
CAS No.	1581281-30-2
Molecular Formula	C9H4FN
Molecular Weight	145.14 g/mol
Synonyms	3-Fluoro-4-ethynylbenzonitrile; 4-Ethynyl-3-fluorobenzonitrile; 3-Fluoro-4-((trimethylsilyl)ethynyl)benzonitrile (precursor); Benzonitrile, 4-ethynyl-3-fluoro-; 4-Cyano-2-fluorophenylacetylene
EINECS	Contact for details

Quality Control

Our 4-Ethynyl-3-Fluorobenzonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and MS, to ensure high purity and consistency. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory needs.

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 to prevent moisture absorption. Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	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.