Description

3-Fluoro-4-Mercaptobenzonitrile is a high-value, multi-functional aromatic building block containing both a reactive thiol (-SH) group and a nitrile (-CN) moiety. This compound matters for its versatility in synthesizing complex heterocyclic structures and as a key intermediate in advanced material science. It is primarily needed by R&D chemists and process engineers in the pharmaceutical, agrochemical, and specialty polymer industries for developing new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor for the synthesis of fluorinated drug candidates, particularly in kinase inhibitors and CNS-active compounds.
• Agrochemical Synthesis: Building block for novel herbicides and fungicides, leveraging the fluorine atom for enhanced bioactivity and metabolic stability.
• Ligand & Catalyst Development: Used to create novel thiol-based ligands for metal catalysis and asymmetric synthesis.
• Polymer Modification: Serves as a functional monomer or cross-linking agent for introducing fluorinated and sulfur-containing groups into specialty polymers.
• Material Science Research: Employed in the development of organic semiconductors, liquid crystals, and metal-organic frameworks (MOFs).
• Chemical Biology Probes: Useful for synthesizing activity-based probes and bioconjugation reagents due to the reactive thiol group.

Basic Information

Product Name	3-Fluoro-4-Mercaptobenzonitrile
CAS No.	110888-16-9
Molecular Formula	C7H4FNS
Molecular Weight	153.18 g/mol
Synonyms	4-Cyano-2-fluorobenzenethiol; 2-Fluoro-4-mercaptobenzonitrile; 3-Fluoro-4-sulfanylbenzonitrile; Benzonitrile, 3-fluoro-4-mercapto-; 4-Mercapto-3-fluorobenzonitrile; 2-Fluoro-4-cyanobenzenethiol; 3-Fluoro-4-thiocyanobenzonitrile (common misnomer); 110888-16-9 (CAS Registry Number)
EINECS	Contact for details

Quality Control

Our 3-Fluoro-4-Mercaptobenzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and scale-up. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment and is available upon request.

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, and well-ventilated place. Due to its properties, this material is easily oxidized and light-sensitive. Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.