Description

4-(1,1-Difluoroethyl)- Benzenemethanethiol is a specialized organosulfur compound featuring a benzenemethanethiol core substituted with a difluoroethyl group. This structure makes it a valuable building block in advanced organic synthesis, particularly for introducing sulfur-containing motifs with fluorinated alkyl chains. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries. The compound is essential for constructing novel molecular architectures where the combination of fluorine and sulfur functionalities can modulate biological activity, metabolic stability, and physicochemical properties.

Application

• Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), especially in protease inhibitors and kinase-targeted therapies.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides where the difluoroethyl-thiol moiety can enhance bioavailability and environmental persistence.
• Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialty polymers and advanced materials with unique surface properties.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis, particularly in cross-coupling reactions and asymmetric synthesis.
• Fluorine Chemistry Building Block: Critical for medicinal chemistry programs focused on fluorine scan strategies to optimize drug candidate potency and ADME profiles.
• Chemical Biology Probes: Used to create activity-based probes or affinity labels for studying enzyme function and protein interactions.

Basic Information

Product Name	4-(1,1-Difluoroethyl)- Benzenemethanethiol
CAS No.	1892805-43-4
Molecular Formula	C9H10F2S
Molecular Weight	188.24 g/mol
Synonyms	α-(Difluoroethyl)benzyl mercaptan; [4-(1,1-Difluoroethyl)phenyl]methanethiol; 1-[4-(Mercaptomethyl)phenyl]-1,1-difluoroethane; 4-(1,1-Difluoroethyl)benzyl mercaptan; (4-(1,1-Difluoroethyl)phenyl)methanethiol; Benzenemethanethiol, 4-(1,1-difluoroethyl)-; 4-(Difluoroethyl)benzylthiol
EINECS	Contact for details

Quality Control

Our production of 4-(1,1-Difluoroethyl)- Benzenemethanethiol adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is fully characterized using advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment. We support cGMP-compliant manufacturing for advanced clinical-stage projects upon request.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C to minimize oxidation and degradation. Keep the container in a cool, dry, and well-ventilated place, away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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