Description

Thiobenzoic Acid S-(4,4,5,5,5-Pentafluoro-Pentyl)Ester is a specialized organofluorine and organosulfur compound, identified by CAS NO 862700-61-6. This high-value intermediate is critical for introducing both a fluorinated alkyl chain and a reactive thioester moiety into target molecules, enabling advanced material synthesis. It is primarily sought by R&D and production chemists in the pharmaceutical, agrochemical, and specialty materials sectors for developing novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Used in the synthesis of fluorinated drug candidates, potentially enhancing metabolic stability and bioavailability.
• Agrochemical Synthesis: Serves as a key building block for creating novel pesticides and herbicides with fluorinated side chains for improved efficacy and environmental profile.
• Material Science Research: Employed in the development of fluorinated polymers, liquid crystals, and specialty coatings with unique surface properties.
• Chemical Biology Probes: Acts as a precursor for synthesizing activity-based probes or affinity labels that target specific enzymes or proteins.
• Ligand and Catalyst Development: Utilized in the preparation of fluorinated ligands for catalysis or as a modifying agent for catalyst surfaces.
• Custom Synthesis and Contract Manufacturing: A valuable starting material for custom synthesis projects requiring precise fluorination and thioester chemistry.

Basic Information

Product Name	Thiobenzoic Acid S-(4,4,5,5,5-Pentafluoro-Pentyl)Ester
CAS No.	862700-61-6
Molecular Formula	C₁₂H₁₁F₅OS
Molecular Weight	298.27 g/mol
Synonyms	S-(4,4,5,5,5-Pentafluoropentyl) Benzenecarbothioate; Benzenecarbothioic Acid S-(4,4,5,5,5-Pentafluoropentyl) Ester; 4,4,5,5,5-Pentafluoropentyl Thiobenzoate; Thiobenzoic Acid Pentafluoropentyl Ester; Pentafluoropentyl Benzenecarbothioate; Pentafluoropentyl Thiobenzoate; CAS 862700-61-6
EINECS	Contact for details

Quality Control

Our production of Thiobenzoic Acid S-(4,4,5,5,5-Pentafluoro-Pentyl)Ester adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure high purity and batch-to-batch consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This compound is sensitive to fluoride/strong alkali conditions and should be stored separately from such materials. Keep container tightly sealed when not in use to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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