Description

Benzoic Acid, Pentafluoro-, 1,1-Dimethylethyl Ester is a fluorinated aromatic ester derivative, valued for its unique combination of steric bulk and electron-withdrawing properties imparted by the pentafluorophenyl and tert-butyl ester groups. This compound serves as a critical advanced intermediate in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research where precise structural modification is required. It is primarily sought by R&D chemists and process development scientists in fine chemical, pharmaceutical, and advanced material sectors.

Application

• Pharmaceutical Intermediate: Used in the synthesis of active pharmaceutical ingredients (APIs), especially those requiring fluorinated aromatic motifs for enhanced metabolic stability and bioavailability.
• Agrochemical Synthesis: Serves as a key building block for developing novel herbicides, fungicides, and insecticides with improved efficacy and environmental profile.
• Liquid Crystal & OLED Material Precursor: Employed in the production of fluorinated components for electronic display and lighting technologies.
• Polymer Modification: Acts as a monomer or grafting agent to introduce fluorinated aromatic units into polymers, altering their thermal, chemical, and surface properties.
• Catalyst Ligand Synthesis: Utilized to create specialized ligands for transition metal catalysts used in cross-coupling and other organic transformations.
• Advanced Material Research: Functions as a model compound or precursor in the development of new fluorinated materials for specialized coatings and membranes.

Basic Information

Product Name	Benzoic Acid, Pentafluoro-, 1,1-Dimethylethyl Ester
CAS No.	98040-93-8
Molecular Formula	C11H9F5O2
Molecular Weight	268.18 g/mol
Synonyms	tert-Butyl Pentafluorobenzoate; Pentafluorobenzoic Acid tert-Butyl Ester; 2-Methylpropan-2-yl 2,3,4,5,6-Pentafluorobenzoate; 1,1-Dimethylethyl Pentafluorobenzoate; Pentafluorobenzoic Acid, 1,1-Dimethylethyl Ester; t-Butyl Pentafluorobenzoate; tert-Butyl Perfluorobenzoate
EINECS	Contact for details

Quality Control

Our production of Benzoic Acid, Pentafluoro-, 1,1-Dimethylethyl Ester adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic workflows. Each lot is characterized using advanced analytical techniques including GC, HPLC, NMR, and MS to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with every shipment. We support development under cGMP guidelines where required and can accommodate custom purity specifications for research and commercial-scale projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from strong bases and fluorides. The container should be kept tightly sealed in a dry environment to minimize moisture exposure.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.