Description

Benzoic Acid, 4-Ethynyl-2-Fluoro- (9Ci) is a specialized fluorinated and alkynyl-substituted benzoic acid derivative, serving as a high-value synthetic building block in advanced organic chemistry. Its unique structure, combining a fluorine atom with an ethynyl group on the aromatic ring, makes it a critical intermediate for constructing complex molecules with tailored electronic and steric properties. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries, particularly in the development of new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, especially in kinase inhibitor and oncology research.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and pesticides with enhanced activity.
• Material Science: Serves as a monomer or precursor for specialty polymers, liquid crystals, and organic electronic materials.
• Chemical Research: A versatile reagent for Suzuki-Miyaura and Sonogashira cross-coupling reactions to create complex biaryl and conjugated systems.
• Fluorine Chemistry: Utilized in medicinal chemistry to improve metabolic stability and membrane permeability of lead compounds.
• Peptide Mimetics: Incorporated into peptide backbones to create stable, bioavailable analogs for therapeutic applications.

Basic Information

Product Name	Benzoic Acid, 4-Ethynyl-2-Fluoro- (9Ci)
CAS No.	736117-41-2
Molecular Formula	C9H5FO2
Molecular Weight	164.13 g/mol
Synonyms	4-Ethynyl-2-fluorobenzoic acid; 2-Fluoro-4-ethynylbenzoic acid; 4-Ethynyl-2-fluorobenzoic Acid (9CI); 2-Fluoro-4-((trimethylsilyl)ethynyl)benzoic acid (precursor); 4-Ethynyl-2-fluoro-benzoic acid; 736117-41-2; 4-Ethynyl-2-fluorobenzoic acid, 9CI
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-Ethynyl-2-Fluoro- (9Ci) is produced under strict quality management systems to ensure batch-to-batch consistency and high purity. We provide comprehensive analytical data, including HPLC purity, NMR, and mass spectrometry confirmation. A Certificate of Analysis (COA) is supplied with each batch, detailing all critical quality attributes. Our quality commitment aligns with cGMP principles for advanced pharmaceutical intermediates, ensuring reliability for your most demanding synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong bases and oxidizing agents. Due to its sensitivity, the container should be kept tightly sealed under an inert atmosphere if specified for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.