Methyl pentafluorobenzoate

CAS Number 36629-42-2

Chemistry Building Blocks, Fluorinated Building Blocks, Materials, Monomers

Methyl pentafluorobenzoate CAS 36629-42-2

A perfluorinated benzoate building block

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

Specifications | MSDS | Literature and Reviews

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

For facile synthesis

Fluorinated benzoate building block

For drug discovery, metal complexes and polymer chemistry

Worldwide shipping

Quick and reliable shipping

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

Product Details

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

MSDS Documentation

Methyl pentafluorobenzoate MSDS Sheet

Literature and Reviews

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.
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.
Photocatalytic C–F alkylation: facile access to multifluorinated arenes, A. Singh et al., Chem. Sci., 6, 7206(2015); DOI: 10.1039/c5sc03013g.

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.