Pentafluorobenzene is widely used as a reagent in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its strong electron-withdrawing properties make it valuable in nucleophilic aromatic substitution reactions, enabling the introduction of various functional groups into aromatic systems.

In analytical chemistry, it serves as a derivatization agent for gas chromatography, enhancing the detection and quantification of compounds such as alcohols, amines, and carboxylic acids. Its volatility and stability under high temperatures make it suitable for this purpose.

Additionally, pentafluorobenzene is employed in the development of liquid crystals and advanced materials due to its unique electronic characteristics. It is also utilized in the synthesis of fluorinated polymers, which exhibit enhanced chemical resistance and thermal stability.

In environmental studies, it acts as a tracer or reference compound for monitoring air and water quality, leveraging its distinct chemical signature for accurate analysis.