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Product Code B3451-25g
Price £30 ex. VAT

A perfluorinated benzoic acid building block

Forms organometallic complexes for catalysts and APIs

Specifications | MSDS | Literature and Reviews

Pentafluorobenzoic acid (CAS number 602-94-8), also known as perfluorobenzoic acid, is a benzoic acid compound that is fully substituted with five fluorine groups on the benzene ring. Being a perfluorinated compound, pentafluorobenzoic acid is considered to be electron deficient. It finds application in the exploration of the reaction mechanism involved in indolyl 1,3-heteroatom transposition reactions.

Pentafluorobenzoic acid can coordinate to metal centres, forming organometallic complexes. It acts as a bidentate ligand for the preparation of 2D coordination polymers with copper and fullerene. Density functional theory (DFT) calculation reveals that a pentafluorobenzoic acid-copper(I)-fullerene complex possesses a narrow bandgap of 0.95 eV. Additionally, by taking the advantage of the electron deficiency, pentafluorobenzoic acid is utilized for the study of the π-stacking interaction in titanium salalen catalysts.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated benzoic acid building block

Fluorinated benzoic acid building block

for drug discovery, organometallic complexes, and organic synthesis

competitively priced 602-94-8

Low Cost

Competitively priced, high quality product

High purity 602-94-8

High purity

>98% High purity

General Information

CAS Number 602-94-8
Chemical Formula C7HF5O2
Full Name Pentafluorobenzoic acid
Molecular Weight 212.08 g/mol
Synonyms Perfluorobenzoic acid
Classification / Family Fluorinated building blocks, Benzoic acid building blocks, Catalysts, Organometallic complexes, Organic synthesis, APIs

Chemical Structure

Pentafluorobenzoic acid chemical structure, CAS 602-94-8
Pentafluorobenzoic acid chemical structure, CAS 602-94-8

Product Details

Purity 98%
Melting Point Tm = 100 °C – 102 °C
Appearance White powder

MSDS Documentation

Pentafluorobenzoic acidPentafluorobenzoic acid MSDS Sheet

Literature and Reviews

  1. Titanium salalen catalyzed enantioselective benzylic hydroxylation, C. Wartmann et al., Angew. Chem. Int. Ed., 62, e202306584 (2023); DOI: 10.1002/anie.202306584.
  2. Mechanistic duality of indolyl 1,3-heteroatom transposition, Y. Lee et al., Chem. Sci., 14, 7688 (2023); DOI: 10.1039/d3sc00716b.
  3. Protonation behavior of a tetrahydrido molybdenum(IV) complex with organic and inorganic acids, N. Queyriaux et al., Eur. J. Inorg. Chem., 26, e202300426 (2023); DOI: 10.1002/ejic.20230042.
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