Description

Cyclohexane, 1-Fluoro-2-(Methylthio)-, trans- (9Ci) CAS NO 122895-30-1 is a specialized fluorinated organosulfur compound featuring a unique trans-configuration on the cyclohexane ring. This structural motif makes it a valuable and versatile building block for advanced chemical synthesis, particularly in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals. It is primarily sought by research institutions and fine chemical manufacturers engaged in medicinal chemistry, material science, and the synthesis of complex organic molecules.

Application

• Pharmaceutical Intermediate: A key synthon for introducing fluorine and sulfur-containing functional groups into potential drug candidates, enhancing metabolic stability and bioavailability.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides where the fluoromethylthio moiety can improve activity and selectivity.
• Material Science Precursor: Serves as a monomer or modifier in the development of specialty polymers and advanced materials with tailored surface properties.
• Medicinal Chemistry & Drug Discovery: Employed in high-throughput screening libraries and structure-activity relationship (SAR) studies to explore new chemical entities.
• Ligand and Catalyst Development: The sulfur atom can act as a coordination site in the design of novel ligands for catalytic systems.
• Academic and Industrial R&D: A valuable reagent for methodological development in organic synthesis, particularly in stereoselective fluorination and C-S bond formation reactions.

Basic Information

Product Name	Cyclohexane, 1-Fluoro-2-(Methylthio)-, trans- (9Ci)
CAS No.	122895-30-1
Molecular Formula	C7H13FS
Molecular Weight	148.24 g/mol
Synonyms	trans-1-Fluoro-2-(methylthio)cyclohexane; trans-2-Fluoro-1-(methylthio)cyclohexane; 1-Fluoro-2-methylsulfanyl-cyclohexane (trans-); Fluoromethylthiocyclohexane (trans- isomer); (1R,2S)-1-Fluoro-2-(methylthio)cyclohexane; (1S,2R)-1-Fluoro-2-(methylthio)cyclohexane; NSC 406306; trans-2-Fluoro-1-methylthiocyclohexane
EINECS	Contact for details

Quality Control

Our production of Cyclohexane, 1-Fluoro-2-(Methylthio)-, trans- (9Ci) adheres to stringent quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR analysis, to ensure high chemical purity, correct stereochemistry, and the absence of critical impurities. Certificates of Analysis (COA) detailing identity, purity, and specific test results are provided with every shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents and strong bases. For long-term storage, consider maintaining under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0% (Area %)
Isomeric Purity (trans-)	≥ 98.0% (by GC or HPLC)
Water Content (KF)	≤ 0.5%

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