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2-Fluoro-6-(Trifluoromethyl)Phenylacetylene CAS NO 1536101-77-5


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CAS No.:1536101-77-5

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

2-Fluoro-6-(trifluoromethyl)phenylacetylene is a highly functionalized aromatic alkyne building block of significant interest in advanced organic synthesis. Its value lies in the strategic combination of fluorine atoms and an acetylene group, enabling precise molecular construction for complex target molecules. This compound is primarily needed by researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries for applications such as cross-coupling reactions and the development of novel fluorinated compounds.

Application

  • Pharmaceutical Intermediate: A key synthon for constructing complex bioactive molecules, particularly in the development of fluorinated drug candidates where the trifluoromethyl and fluoro groups can enhance metabolic stability and lipophilicity.
  • Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging fluorine's ability to improve biological activity and environmental persistence.
  • Material Science Precursor: Serves as a monomer or building block for synthesizing specialized polymers, liquid crystals, and organic electronic materials with tailored properties.
  • Cross-Coupling Reactions: An excellent substrate for Sonogashira, Heck, and other palladium-catalyzed coupling reactions to create extended conjugated systems or complex molecular architectures.
  • Click Chemistry: The terminal alkyne group makes it suitable for Huisgen cycloaddition (click chemistry) reactions, facilitating rapid and modular compound library synthesis for drug discovery.
  • Ligand and Catalyst Development: Used to create novel phosphine or N-heterocyclic carbene ligands with fluorinated aromatic backbones for catalysis research.

Basic Information

Product Name 2-Fluoro-6-(trifluoromethyl)phenylacetylene
CAS No. 1536101-77-5
Molecular Formula C9H4F4
Molecular Weight 188.12 g/mol
Synonyms 1-Ethynyl-2-fluoro-6-(trifluoromethyl)benzene; 2-Fluoro-6-(trifluoromethyl)ethynylbenzene; 2-Fluoro-α,α,α-trifluoro-o-ethynyltoluene; 2-Fluoro-6-trifluoromethylphenylacetylene; (2-Fluoro-6-(trifluoromethyl)phenyl)ethyne; o-Fluoro-α,α,α-trifluoroethynyltoluene
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Quality Control

Our 2-Fluoro-6-(trifluoromethyl)phenylacetylene is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available for every lot upon request, supporting your R&D and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flames. For long-term storage, consider storing under an inert atmosphere such as nitrogen or argon to maintain stability.

Specification

Item Specification
Appearance Colorless to pale yellow liquid
Identification (IR) 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.

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