CAS 766-98-3 1-Ethynyl-4-fluorobenzene - Catalysts / Alfa Chemistry

Synonyms

EBD8668; AKOS008901264; CTK3J1489; 4-Fluoro phenylacetylene; 4-Fluorophenylacetylene; CHEMBL233810; ACMC-209p5m; RP09256; I01-5058; 1-Ethinyl-4-fluorobenzene;

IUPAC Name

1-ethynyl-4-fluorobenzene;

Molecular Weight

120.126g/mol

Molecular Formula

C8H5F;

Canonical SMILES

C#CC1=CC=C(C=C1)F;

InChI

InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H;

InChI Key

QXSWHQGIEKUBAS-UHFFFAOYSA-N;

Storage

2-8°C

Complexity

123

Covalently-Bonded Unit Count

Exact Mass

120.038g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

120.038g/mol

Rotatable Bond Count

Topological Polar Surface Area

0A^2

Application

1-Ethynyl-4-fluorobenzene serves multiple purposes across various domains. It is primarily used as an intermediate in the production of liquid crystals, showcasing its versatility in the field of materials science. Additionally, it acts as a significant pharmaceutical intermediate, facilitating the synthesis of complex compounds in medicinal chemistry. In organic synthesis, it is employed as a crucial building block, particularly through Sonogashira coupling reactions to create aryl acetylenes. The compound also finds application in vacuum deposition processes, enhancing surface modifications. These diverse roles emphasize the importance of 1-ethynyl-4-fluorobenzene in both research and industrial applications.

February 12, 2025

Versatile and Efficient in Research Applications

The 1-Ethynyl-4-fluorobenzene from Alfa Chemistry proved invaluable in our studies, particularly for Sonogashira coupling reactions. Its role as an organic synthesis intermediate streamlined our research workflow significantly, yielding excellent results.