Description

cis-1-Iodo-2-(Pentafluoroethyl)Cyclohexane CAS NO 38787-68-7 is a high-value, fluorinated organic building block characterized by its unique combination of a cyclohexane ring, an iodine substituent, and a pentafluoroethyl group. This compound is engineered to serve as a critical intermediate in advanced synthetic chemistry, enabling the introduction of fluorine and iodine atoms into complex molecular architectures. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for creating novel active ingredients, as well as by material scientists developing specialty polymers and liquid crystals.

Application

• Pharmaceutical Intermediate: Used in the synthesis of fluorinated drug candidates, particularly in medicinal chemistry for structure-activity relationship (SAR) studies and the development of compounds with enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Serves as a key precursor for creating novel fluorinated pesticides and herbicides, where the fluorine atoms can improve lipophilicity and biological activity.
• Material Science Research: Employed in the development of specialty fluoropolymers and advanced organic electronic materials due to its ability to modify electronic properties and chemical resistance.
• Liquid Crystal & OLED Precursor: Acts as a building block for fluorinated liquid crystal molecules and organic light-emitting diode (OLED) materials, where the cis-configuration and fluorine content are crucial for desired mesomorphic and optoelectronic properties.
• Cross-Coupling Reactions: The iodine atom makes it an excellent substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Negishi), facilitating the construction of complex, fluorinated biaryl and other structures.
• Radiotracer & Diagnostic Agent Development: The iodine moiety provides a potential site for radioiodination (123I, 124I, 131I), making it a candidate intermediate for developing PET/SPECT imaging agents.

Basic Information

Product Name	cis-1-Iodo-2-(Pentafluoroethyl)Cyclohexane
CAS No.	38787-68-7
Molecular Formula	C8H10F5I
Molecular Weight	328.06 g/mol
Synonyms	1-Iodo-2-(pentafluoroethyl)cyclohexane (cis-); cis-1-Iodo-2-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)cyclohexane; (1R,2S)-1-Iodo-2-(pentafluoroethyl)cyclohexane; (1S,2R)-1-Iodo-2-(pentafluoroethyl)cyclohexane; Pentafluoroethyl-iodocyclohexane; Fluorinated iodocyclohexane intermediate; C8H10F5I; CAS 38787-68-7
EINECS	Contact for details

Quality Control

Every batch of cis-1-Iodo-2-(Pentafluoroethyl)Cyclohexane is manufactured and analyzed under strict quality management protocols to ensure consistency and purity for research and development applications. Our standard grade typically meets a purity specification of ≥95% (by GC or HPLC), with rigorous control of related isomers and impurities. Certificates of Analysis (COA) detailing identity, purity, and specific test results are provided with each shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place, away from strong acids and oxidizing agents. For long-term stability, storage at 2-8°C under an inert atmosphere (e.g., argon or nitrogen) is recommended. Keep the container tightly sealed to prevent moisture absorption and decomposition.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95.0%
Isomer Ratio (cis/trans)	≥ 98:2 (cis:trans)
Water Content (KF)	≤ 0.5%

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