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4-Fluoro-3-(Methylsulfanyl)Benzoic Acid CAS NO 169310-01-4


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CAS No.:169310-01-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

4-Fluoro-3-(Methylsulfanyl)Benzoic Acid is a high-value fluorinated aromatic building block characterized by its benzoic acid core substituted with both fluorine and a methylthio group. This unique structure makes it a critical intermediate for synthesizing advanced pharmaceutical compounds and agrochemicals, where its specific substitution pattern can impart desirable biological activity and metabolic stability. It is primarily sought after by R&D chemists and process development scientists in the life sciences sector for constructing complex molecules in drug discovery and crop protection programs.

Application

  • Pharmaceutical Intermediate: A key synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, anti-infectives, and oncology.
  • Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the fluorine atom enhances lipophilicity and bioavailability.
  • Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials, contributing to improved performance and stability.
  • Organic Synthesis Building Block: Employed in cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) and as a scaffold for further functionalization in medicinal chemistry.
  • Chemical Research & Development: Utilized in academic and industrial labs for exploring new synthetic methodologies and creating novel compound libraries for screening.

Basic Information

Product Name 4-Fluoro-3-(Methylsulfanyl)Benzoic Acid
CAS No. 169310-01-4
Molecular Formula C8H7FO2S
Molecular Weight 186.20 g/mol
Synonyms 3-(Methylthio)-4-fluorobenzoic Acid; 4-Fluoro-3-(methylthio)benzoic Acid; 4-Fluoro-3-methylsulfanylbenzoic Acid; Benzoic acid, 4-fluoro-3-(methylthio)-; 4-Fluoro-3-(methylmercapto)benzoic Acid; 4-Fluoro-3-(methylsulfanyl)-benzoic acid; 4-Fluoro-3-methylmercaptobenzoic acid
EINECS Contact for details

Quality Control

Every batch of 4-Fluoro-3-(Methylsulfanyl)Benzoic Acid is manufactured under strict quality management systems and undergoes comprehensive analytical testing to ensure identity, purity, and consistency. Our standard grade typically meets a purity specification of ≥97% (HPLC), with detailed impurity profiling available. A Certificate of Analysis (COA) is provided with each shipment, documenting key parameters such as assay, related substances, and residual solvents. We support custom synthesis and can tailor specifications to meet specific project requirements, including compliance with ICH guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. The compound is light-sensitive (store away from light).

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Assay (HPLC) ≥ 97.0%
Related Substances (HPLC) Total impurities ≤ 3.0%
Melting Point Contact for details
Loss on Drying ≤ 0.5%
Residual Solvents (GC) Meets ICH Q3C guidelines

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

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