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3-(Fluorosulphonyl)Benzoic Acid CAS NO 454-95-5


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CAS No.:454-95-5

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-(Fluorosulphonyl)Benzoic Acid is a high-purity, multi-functional aromatic building block characterized by its unique combination of a benzoic acid core with a reactive fluorosulfonyl group. This compound matters for its versatility as a key intermediate in advanced organic synthesis, enabling the introduction of both carboxylic acid and highly electrophilic sulfonyl fluoride functionalities. Pharmaceutical, agrochemical, and material science researchers need it for developing novel active ingredients, polymers, and specialty chemicals where precise molecular modification is critical.

Application

  • Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of sulfonamide-based drug candidates, protease inhibitors, and other bioactive molecules.
  • Agrochemical Synthesis: Used in creating novel herbicides, fungicides, and plant growth regulators that require the sulfonyl fluoride moiety for activity.
  • Chemical Biology & Proteomics: Acts as a reactive handle in activity-based protein profiling (ABPP) and the development of covalent enzyme inhibitors due to the sulfonyl fluoride's affinity for serine hydrolases.
  • Polymer & Material Science: Employed as a monomer or cross-linking agent for producing specialty polymers with enhanced thermal stability, chemical resistance, or specific surface properties.
  • Ligand & Catalyst Development: Useful for synthesizing complex chelating ligands and organocatalysts for asymmetric synthesis and metal-organic frameworks (MOFs).
  • Fluorination Reagent Precursor: The fluorosulfonyl group can be a source of fluorine in further synthetic transformations to create other fluorinated compounds.

Basic Information

Product Name 3-(Fluorosulphonyl)Benzoic Acid
CAS No. 454-95-5
Molecular Formula C7H5FO4S
Molecular Weight 204.17 g/mol
Synonyms 3-(Fluorosulfonyl)benzoic acid; Benzoic acid, 3-(fluorosulfonyl)-; m-(Fluorosulfonyl)benzoic acid; 3-Carboxybenzenesulfonyl fluoride; 3-Fluorosulfonylbenzoic acid; Meta-fluorosulfonylbenzoic acid; FSB; 3-SO2F-benzoic acid
EINECS Contact for details

Quality Control

Our 3-(Fluorosulphonyl)Benzoic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR, to ensure it meets the high standards required for research and industrial synthesis. Certificates of Analysis (COA) with detailed batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after use to minimize exposure to atmospheric moisture. Keep away from strong bases and oxidizing agents.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Melting Point Contact for details
Water Content (KF) ≤ 0.5%
Heavy Metals < 10 ppm

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

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