Description

Ethyl 4-Cyano-3-Fluorobenzoate is a high-purity fluorinated aromatic ester building block of significant importance in advanced organic synthesis. Its core value lies in its bifunctional molecular structure, incorporating both a cyano and a fluorine substituent, which enables precise molecular modifications and the introduction of key pharmacophores. This compound is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the development of novel herbicides and fungicides, where the fluorine atom enhances biological activity and metabolic stability.
• Liquid Crystal Materials: Serves as a building block for fluorinated liquid crystal compounds used in display technologies.
• Organic Electronic Materials: Employed in the research and development of organic semiconductors and electron-transport materials.
• Cross-Coupling Reactions: The ester and cyano groups make it a suitable substrate for Suzuki, Sonogashira, and other palladium-catalyzed cross-coupling reactions.
• Fluorine Chemistry Research: An essential reagent for studying structure-activity relationships (SAR) and the effects of fluorine substitution in medicinal chemistry.

Basic Information

Product Name	Ethyl 4-Cyano-3-Fluorobenzoate
CAS No.	952183-53-8
Molecular Formula	C10H8FNO2
Molecular Weight	193.17 g/mol
Synonyms	Benzoic acid, 4-cyano-3-fluoro-, ethyl ester; 3-Fluoro-4-cyanobenzoic acid ethyl ester; Ethyl 3-fluoro-4-cyanobenzoate; 4-Cyano-3-fluorobenzoic acid ethyl ester; Ethyl 4-cyano-3-fluorobenzoate; 952183-53-8; Ethyl 3-fluoro-4-cyanobenzoate
EINECS	Contact for details

Quality Control

Our Ethyl 4-Cyano-3-Fluorobenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring traceability and consistency for critical R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to prevent degradation from atmospheric moisture. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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