Description

Benzonitrile, 2-Fluoro-6-Mercapto- (9Ci) CAS NO 138249-39-5 is a specialized fluorinated aromatic nitrile derivative featuring a reactive mercapto group. This compound is a high-value intermediate prized for its dual functionality, enabling the synthesis of complex molecules in advanced research and development. It is primarily sought by pharmaceutical, agrochemical, and advanced materials chemists for constructing novel heterocyclic scaffolds and functionalized aromatic systems.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting neurological disorders and cancers.
• Agrochemical Synthesis: Used in the development of novel herbicides and fungicides, leveraging the fluorine atom for enhanced biological activity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in transition metal catalysis and organocatalysis.
• Material Science Research: Employed in the synthesis of functionalized polymers, liquid crystals, and organic electronic materials.
• Chemical Biology Probes: Utilized to create fluorescent or affinity tags for studying protein interactions and enzyme activity.
• Custom Synthesis and R&D: A versatile starting material for contract research organizations (CROs) and academic laboratories exploring new chemical entities.

Basic Information

Product Name	Benzonitrile, 2-Fluoro-6-Mercapto- (9Ci)
CAS No.	138249-39-5
Molecular Formula	C7H4FNS
Molecular Weight	153.18 g/mol
Synonyms	2-Fluoro-6-mercaptobenzonitrile; 6-Cyano-3-fluorobenzenethiol; 2-Fluoro-6-sulfanylbenzonitrile; 3-Fluoro-2-mercaptobenzonitrile; 2-Fluoro-6-thiocyanatobenzene (misnomer); 2-Cyano-3-fluorobenzenethiol; Benzonitrile, 2-fluoro-6-mercapto-
EINECS	Contact for details

Quality Control

Every batch of Benzonitrile, 2-Fluoro-6-Mercapto- is produced and analyzed under strict quality management protocols. We provide comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles to ensure it meets the exacting standards required for research and process development. Our quality systems are designed to support regulatory filings, with documentation available to meet cGMP and ISO guidelines as required.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) in a cool, dry, well-ventilated area. Due to its sensitivity, keep away from strong oxidizing agents and minimize exposure to air and moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
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.