Description

3-Penten-2-One, 1,1,1,5,5,5-Hexafluoro-4-Mercapto- is a specialized fluorinated organosulfur compound featuring a unique combination of a ketone, a thiol group, and perfluorinated methyl groups. This structure makes it a valuable and versatile building block for synthesizing advanced materials and fine chemicals where the introduction of fluorine atoms and sulfur-based functionalities is critical. It is primarily sought by R&D chemists and process engineers in the pharmaceutical, agrochemical, and specialty polymer industries for applications requiring specific electronic, hydrophobic, or reactivity properties.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for introducing fluorinated thiol motifs into drug candidates, potentially enhancing metabolic stability, lipophilicity, and binding affinity.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, where the fluorine and sulfur groups can improve biological activity and environmental persistence profiles.
• Advanced Material Precursor: Acts as a monomer or cross-linking agent in the synthesis of fluorinated polymers, coatings, and elastomers with superior chemical resistance, low surface energy, and thermal stability.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalysis, particularly in asymmetric synthesis and coupling reactions.
• Surface Modification Agent: Utilized to functionalize surfaces (e.g., silicon, metals) with self-assembled monolayers (SAMs) that impart specific chemical, electronic, or anti-fouling properties.
• Fine Chemical and Flavor/Fragrance Intermediate: Its reactive ketone and thiol groups allow for diverse chemical transformations to create complex, high-value specialty molecules.

Basic Information

Product Name	3-Penten-2-One, 1,1,1,5,5,5-Hexafluoro-4-Mercapto-
CAS No.	56666-70-7
Molecular Formula	C5H4F6OS
Molecular Weight	226.14 g/mol
Synonyms	4-Mercapto-1,1,1,5,5,5-hexafluoropent-3-en-2-one; 1,1,1,5,5,5-Hexafluoro-4-mercapto-3-penten-2-one; Hexafluoroacetylacetone thiol; HFAA thiol; 4-SH-HFAA; Perfluoroacetylacetone thiol; 4-Mercaptohexafluoroacetylacetone
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards and precise customer requirements. Each batch is analyzed using advanced techniques including GC, HPLC, NMR, and FTIR to confirm identity, purity, and the absence of critical impurities. Certificates of Analysis (COA) detailing all test results are available upon request, providing full traceability and supporting your quality management systems (ISO, GMP).

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 away from strong oxidizing agents, strong bases, and sources of ignition. Allow the container to reach ambient temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to reference spectrum
Purity (GC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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