Description

1,1,1,5,5,5-Hexafluoropent-3-yn-2-one is a highly fluorinated alkyne derivative, serving as a versatile and reactive building block in advanced organic synthesis. Its unique structure, featuring a terminal alkyne adjacent to a carbonyl group and perfluorinated alkyl chains, makes it a critical precursor for introducing fluorinated moieties into complex molecules. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and materials science industries seeking to develop novel compounds with enhanced properties such as metabolic stability, lipophilicity, and chemical resistance.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing fluorinated active pharmaceutical ingredients (APIs) and drug candidates, leveraging fluorine's ability to modulate bioavailability and metabolic stability.
• Agrochemical Synthesis: Used in the production of advanced fluorinated pesticides, herbicides, and fungicides, where the fluorine atoms can enhance biological activity and environmental persistence.
• Materials Science: Precursor for creating specialty polymers, coatings, and liquid crystals with unique surface properties, thermal stability, and chemical resistance.
• Organic Synthesis Reagent: Employed in click chemistry, cycloaddition reactions, and as a dienophile in Diels-Alder reactions to construct complex, fluorinated heterocyclic compounds.
• Fluorinated Ligand Development: Useful for synthesizing novel ligands for catalysis, particularly in asymmetric synthesis and transition metal catalysis.
• Research & Development: Serves as a valuable tool in academic and industrial R&D for exploring new fluorination methodologies and creating molecular libraries for screening.

Basic Information

Product Name	1,1,1,5,5,5-Hexafluoropent-3-yn-2-one
CAS No.	96102-06-6
Molecular Formula	C5HF6O
Molecular Weight	194.05 g/mol
Synonyms	Hexafluoro-3-pentyn-2-one; 3-Pentyn-2-one, 1,1,1,5,5,5-hexafluoro-; Perfluoro-3-pentyn-2-one; 1,1,1,5,5,5-Hexafluoro-3-pentyn-2-one; 1,1,1,5,5,5-Hexafluoropent-3-yn-2-one; CF3C≡CCOCF3; 3-Butyn-2-one, 1,1,1,4,4,4-hexafluoro- (related); Hexafluoropentynone
EINECS	Contact for details

Quality Control

Our 1,1,1,5,5,5-Hexafluoropent-3-yn-2-one is produced under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements for advanced synthetic applications. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area. Recommended storage temperature is 2-8°C for long-term stability. This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 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.