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Atomfair 3-Fluorothioanisole C7H7FS CAS 658-28-6

3-Fluorothioanisole (CAS No. 658-28-6) is a high-purity fluorinated aromatic thioether with the molecular formula C7H7FS . This specialized organosulfur compound, also known by its IUPAC name 1-fluoro-3-methylsulfanylbenzene , features a fluorine substituent at the meta position relative to the methylthio group, offering unique electronic and steric properties for advanced synthetic applications. Our product is rigorously tested to meet the highest standards of purity and consistency, making it ideal for pharmaceutical intermediates, agrochemical research, and materials science. Available in various quantities with detailed analytical certificates (including GC/MS, NMR, and HPLC data), this compound is packaged under inert conditions to ensure stability.…

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Description

3-Fluorothioanisole (CAS No. 658-28-6) is a high-purity fluorinated aromatic thioether with the molecular formula C7H7FS. This specialized organosulfur compound, also known by its IUPAC name 1-fluoro-3-methylsulfanylbenzene, features a fluorine substituent at the meta position relative to the methylthio group, offering unique electronic and steric properties for advanced synthetic applications. Our product is rigorously tested to meet the highest standards of purity and consistency, making it ideal for pharmaceutical intermediates, agrochemical research, and materials science. Available in various quantities with detailed analytical certificates (including GC/MS, NMR, and HPLC data), this compound is packaged under inert conditions to ensure stability. Suitable for use in cross-coupling reactions, ligand design, and as a building block for fluorinated heterocycles.

Properties

  • CAS Number: 658-28-6
  • Complexity: 85
  • IUPAC Name: 1-fluoro-3-methylsulfanyl-benzene
  • InChI: InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
  • InChI Key: SQXSNYMCORGWCE-UHFFFAOYSA-N
  • Exact Mass: 142.02524956
  • Molecular Formula: C7H7FS
  • Molecular Weight: 142.20
  • SMILES: CSC1=CC=CC(=C1)F
  • Topological: 25.3
  • Monoisotopic Mass: 142.02524956
  • Synonyms: 3-Fluorothioanisole, 658-28-6, 1-Fluoro-3-(methylthio)benzene, DTXSID70374664, DTXCID50325694, 673-652-2, (3-fluorophenyl)(methyl)sulfane, 1-fluoro-3-methylsulfanylbenzene, 1-fluoro-3-(methylsulfanyl)benzene, 3-Fluorophenyl Methyl Sulfide, Benzene, 1-fluoro-3-(methylthio)-, 1-fluoro-3-methylsulfanyl-benzene, MFCD03789131, 3-fluoro-1-methylthiobenzene, SCHEMBL776328, SCHEMBL1145703, SCHEMBL1419444, SCHEMBL1528824, SCHEMBL8463422, SCHEMBL15654795, SBB086251, AKOS006344967, PS-8999, AC-16441, CS-0194941, F0582, A12732

Application

3-Fluorothioanisole serves as a versatile synthon in medicinal chemistry for introducing fluorine-containing motifs into drug candidates. Researchers utilize its methylthio group for palladium-catalyzed coupling reactions in fragment-based drug discovery. The compound’s electron-withdrawing fluorine enhances its utility in materials science for developing liquid crystals and conductive polymers. In agrochemical research, it acts as a precursor for fluorinated pesticides and herbicides.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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