Description

4-Ethynyl-3-Fluorobenzoic Acid is a high-purity fluorinated aromatic building block featuring both a carboxylic acid and an ethynyl functional group, enabling versatile synthetic modifications. This compound is critical for advanced research and development in pharmaceutical chemistry, particularly in the creation of targeted small-molecule drug candidates. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs), especially kinase inhibitors and other targeted therapies.
• Agrochemical Research: Used in developing novel herbicides and fungicides where the fluorine atom and ethynyl group enhance biological activity and metabolic stability.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers and advanced organic frameworks.
• Click Chemistry: The terminal alkyne group makes it an ideal substrate for copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions in bioconjugation and probe development.
• Ligand Synthesis: Employed in the preparation of sophisticated ligands for catalysis and metal-organic complexes.
• Fluorine-Containing Compound Library: A valuable building block for constructing diverse compound libraries for high-throughput screening in drug discovery.

Basic Information

Product Name	4-Ethynyl-3-Fluorobenzoic Acid
CAS No.	1862427-77-7
Molecular Formula	C9H5FO2
Molecular Weight	164.13 g/mol
Synonyms	3-Fluoro-4-ethynylbenzoic acid; 4-Ethynyl-3-fluorobenzoic acid; Benzoic acid, 4-ethynyl-3-fluoro-; 3-Fluoro-4-((trimethylsilyl)ethynyl)benzoic acid (precursor); TMS-Protected 4-Ethynyl-3-fluorobenzoic acid
EINECS	Contact for details

Quality Control

Our 4-Ethynyl-3-Fluorobenzoic Acid is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and consistent identity. Certificates of Analysis (COA) detailing purity, impurities, and full analytical data are provided with each 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 exclude moisture. For long-term storage, consider using a desiccant.

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.