Description

4-Ethynyl-2-Fluorobenzonitrile is a versatile and high-value aromatic nitrile building block featuring both a fluorine substituent and an ethynyl group. This unique bifunctional 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: A key synthon for constructing 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 pesticides, leveraging the fluorine atom for enhanced bioactivity and metabolic stability.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers, liquid crystals, and 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.
• Fluorinated Building Block: Essential for introducing fluorine atoms into target molecules to modulate their physicochemical properties, such as lipophilicity and metabolic profile.
• Chemical Research & Development: Employed in academic and industrial R&D labs for exploring new synthetic methodologies and creating compound libraries for screening.

Basic Information

Product Name	4-Ethynyl-2-Fluorobenzonitrile
CAS No.	167858-57-3
Molecular Formula	C9H4FN
Molecular Weight	145.14 g/mol
Synonyms	2-Fluoro-4-ethynylbenzonitrile; 4-Ethynyl-2-fluorobenzonitrile; 2-Fluoro-4-ethynylbenzonitrile; Benzonitrile, 4-ethynyl-2-fluoro-; 4-Ethynyl-2-fluoro-benzonitrile; 167858-57-3; 4-Ethynyl-2-fluorobenzene carbonitrile
EINECS	Contact for details

Quality Control

Every batch of 4-Ethynyl-2-Fluorobenzonitrile is manufactured and tested under strict quality management protocols. We ensure compliance with relevant industry standards for fine chemicals and pharmaceutical intermediates. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment to guarantee consistent quality and traceability for your critical processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flames. Due to its light-sensitive nature, prolonged exposure to light should be avoided.

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.