602-94-8 | Pentafluorobenzoic acid

CAS:602-94-8 | Pentafluorobenzoic acid ,Description

Pentafluorobenzoic acid (PFBA) is a fluorinated organic compound with the formula C6F5COOH. It is a white solid that is soluble in organic solvents and has a low melting point of -44 °C. PFBA is used in a variety of applications, including as a reagent in organic synthesis, as a catalyst in synthetic organic chemistry, and as a precursor in the production of other fluorinated compounds. It is also used as a surfactant in cosmetics and as a preservative in food products.
 

Scientific Research Applications

Charge Density and Topological Analysis

Pentafluorobenzoic acid has been studied for its charge density using high-resolution X-ray diffraction data. This analysis is important for understanding the C−F bond, hydrogen bonding, and weak F···O and F···F interactions in crystalline pentafluorobenzoic acid. Such studies are crucial for gaining insights into the molecular interactions and properties of this compound (Bach, Lentz, & Luger, 2001).

Derivatization Agent in Analytical Chemistry

Pentafluorobenzoic acid derivatives are used as derivatizing agents for alcohols and hydroxy fatty acid methyl esters in gas chromatography. This application is significant for the detection of these compounds using electron-capture detectors in gas chromatography and mass spectrometry, highlighting its role in analytical chemistry (Crabtree, Adler, & Handelman, 1989).

Role in Organomercury Chemistry

Pentafluorobenzoic acid is used in the synthesis of mercury derivatives and their subsequent decarboxylation to pentafluorophenylmercury compounds. This demonstrates its utility in the preparation and transformation of organomercury compounds, which has implications in various chemical processes (Connett, Davies, Deacon, & Green, 1966).

Production of Polyfluoroaromatic Compounds

Pentafluorobenzoic acid (PFBA) is a critical raw material for the production of bioactive materials and information recording media. It serves as an important intermediate in the synthesis of photosensitive and bactericidal agents, especially those related to quinolone carboxylic acids. The commercial-scale production of PFBA from benzonitrile has broad applications in creating various polyfluoroaromatic compounds (Nakamura & Kaieda, 1989).

Environmental Tracing and Soil Science

Pentafluorobenzoic acid is used as a tracer to study contaminant transport via preferential flow paths in soil. Its behavior as a conservative tracer in environmental studies allows for the understanding of water movement and contaminant transport in soils, which is crucial for environmental monitoring and management (Kung et al., 2000).

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