Description

2-[(3,4,4-Trifluoro-3-Butenyl)Sulfanyl]Benzenecarboxylic Acid is a specialized fluorinated organic intermediate featuring a unique combination of a benzoic acid core and a trifluorobutenyl thioether side chain. This compound matters for its role as a key building block in the synthesis of advanced materials and active pharmaceutical ingredients (APIs), where its fluorine atoms and sulfur linkage impart critical properties like metabolic stability and lipophilicity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced material sectors seeking to incorporate sophisticated fluorinated motifs into their target molecules.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the development of next-generation herbicides and pesticides, where the fluorine atoms enhance biological activity and environmental persistence.
• Liquid Crystal & OLED Material Research: Acts as a building block for fluorinated components in electronic display materials, improving dielectric anisotropy and thermal stability.
• Polymer Modification: Incorporated into specialty polymers to introduce fluorine-containing side chains, altering surface properties, chemical resistance, and weatherability.
• Organic Synthesis Reagent: Employed in cross-coupling reactions and as a scaffold for constructing complex sulfur- and fluorine-containing heterocycles in medicinal chemistry.
• Chemical Research & Development: Utilized in academic and industrial labs for exploring new reactions and properties of organofluorine compounds.

Basic Information

Product Name	2-[(3,4,4-Trifluoro-3-Butenyl)Sulfanyl]Benzenecarboxylic Acid
CAS No.	672951-84-7
Molecular Formula	C11H9F3O2S
Molecular Weight	262.25 g/mol
Synonyms	2-[(3,4,4-Trifluorobut-3-en-1-yl)thio]benzoic acid; Benzoic acid, 2-[(3,4,4-trifluoro-3-buten-1-yl)thio]-; 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)benzoic Acid; 2-[(3,4,4-Trifluoro-3-butenyl)sulfanyl]benzoic Acid; o-[(3,4,4-Trifluoro-3-butenyl)thio]benzoic Acid; CAS 672951-84-7; 672951-84-7
EINECS	Contact for details

Quality Control

Our production of 2-[(3,4,4-Trifluoro-3-Butenyl)Sulfanyl]Benzenecarboxylic Acid adheres to stringent quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistent high quality and reliable performance in your synthetic processes. Comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a 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 exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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