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Methyl pentafluorobenzoate

CAS Number 36629-42-2

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers


Product Code B2331-10g
Price $95 ex. VAT

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A perfluorinated benzoate building block

A synthesis intermediate for graft polymers, covalently bonded nanocomposites and luminescence metal complexes


Methyl pentafluorobenzoate (CAS number 36629-42-2) or methyl perfluorobenzoate is a fully fluorinated benzoic acid methyl ester. Methyl pentafluorobenzoate is used to synthesize linkers for graft polymers such as perfluorophenyl azide with N-hydroxysuccinimide end group (PFPA-NHS). To synthesize PFPA-NHS, it begins with a nucleophilic aromatic substitution of sodium azide to the para-position of ester. The hydrolysis of the ester is followed forming an azide perfluorobenzoic acid. The last step involves an EDC (1-ethyl-3-(3-dimethylaminopropyl)carbodiimide) catalysed coupling reaction of N-hydroxysuccinimide and the carboxylic acid. PFPA-NHS has been used for preparing polyaniline grafted graphene and catalase grafted polycaprolactone.

After the hydrolysis of the ester group, methyl pentafluorobenzoate binds to cadmium for luminescence metal complexes with overall quantum yield up to 39%.

Multiple functional groups

Multiple functional groups

For facile synthesis

Fluorinated building block

Fluorinated benzoate building block

For drug discovery, metal complexes and polymer chemistry

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High purity 36629-42-2

High purity

>97% High purity

General Information

CAS Number 36629-42-2
Chemical Formula C8H3F5O2
Full Name Methyl pentafluorobenzoate
Molecular Weight 226.10 g/mol
Synonyms Pentafluorobenzoic acid methyl ester, Perfluorobenzoic acid methyl ester, Methyl perfluorobenzoate
Classification / Family Fluorinated building blocks, Aromatic building blocks, Graft polymer, Luminescence metal complexes

Chemical Structure

Methyl pentafluorobenzoate chemical structure, CAS 36629-42-2
Methyl pentafluorobenzoate chemical structure, CAS 36629-42-2

Product Details

Purity 97%
Boiling Point Tb = 223 °C at 760 mmHg
Relative Density 1.53 g/mL at 25 °C
Appearance Colourless liquid

MSDS Documentation

Methyl pentafluorobenzoateMethyl pentafluorobenzoate MSDS Sheet

Literature and Reviews

  1. A simple route to functionalising electrospun polymer scaffolds with surface biomolecules, K. Dziemidowicz et al., Int. J. Pharm., 597, 120231(2021); DOI: 10.1016/j.ijpharm.2021.120231.
  2. Functionalization of pristine graphene for the synthesis of covalent graphene-polyaniline nanocomposite, J. Park et al., RSC Adv., 10, 26486(2020); DOI: 10.1039/d0ra03579c.
  3. Photocatalytic C–F alkylation: facile access to multifluorinated arenes, A. Singh et al., Chem. Sci., 6, 7206(2015); DOI: 10.1039/c5sc03013g.
  4. Synthesis, structure and photoluminescence properties of Cd and Cd-Ln pentafluorobenzoates with 2,2':6',2'-terpyridine derivatives, M. Shmelev et al., Inorganics, 10, 194(2022); DOI: 10.3390/inorganics10110194.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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