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Atomfair Phenyl 1H-imidazole-1-sulfonate C9H8N2O3S CAS 1198183-95-7

Phenyl 1H-imidazole-1-sulfonate (CAS No. 1198183-95-7) is a high-purity sulfonate ester compound with the molecular formula C9H8N2O3S . This specialized chemical is designed for research and industrial applications requiring precise sulfonation or imidazole-based intermediates. The compound features a phenyl group bonded to a sulfonate ester linkage with a 1H-imidazole moiety, offering unique reactivity for organic synthesis, pharmaceutical development, and materials science. With a molecular weight of 224.24 g/mol, it is supplied as a solid with ≥95% purity (HPLC) and is characterized by NMR and LC-MS for quality assurance. Store under inert conditions at 2-8°C to maintain stability.

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Description

Phenyl 1H-imidazole-1-sulfonate (CAS No. 1198183-95-7) is a high-purity sulfonate ester compound with the molecular formula C9H8N2O3S. This specialized chemical is designed for research and industrial applications requiring precise sulfonation or imidazole-based intermediates. The compound features a phenyl group bonded to a sulfonate ester linkage with a 1H-imidazole moiety, offering unique reactivity for organic synthesis, pharmaceutical development, and materials science. With a molecular weight of 224.24 g/mol, it is supplied as a solid with ≥95% purity (HPLC) and is characterized by NMR and LC-MS for quality assurance. Store under inert conditions at 2-8°C to maintain stability.

Properties

  • CAS Number: 1198183-95-7
  • Complexity: 293
  • IUPAC Name: phenyl imidazole-1-sulfonate
  • InChI: InChI=1S/C9H8N2O3S/c12-15(13,11-7-6-10-8-11)14-9-4-2-1-3-5-9/h1-8H
  • InChI Key: NTKIVUNQWDCFDZ-UHFFFAOYSA-N
  • Exact Mass: 224.02556330
  • Molecular Formula: C9H8N2O3S
  • Molecular Weight: 224.24
  • SMILES: C1=CC=C(C=C1)OS(=O)(=O)N2C=CN=C2
  • Topological: 69.6
  • Monoisotopic Mass: 224.02556330
  • Synonyms: SCHEMBL16037143, Phenyl 1H-imidazole-1-sulfonate, NTKIVUNQWDCFDZ-UHFFFAOYSA-N, 1H-imidazole-1-sulfonic acid, phenyl ester, DB-180845, 1198183-95-7

Application

Phenyl 1H-imidazole-1-sulfonate serves as a versatile reagent in organic synthesis, particularly for introducing sulfonate groups to imidazole scaffolds in drug discovery. It is employed in cross-coupling reactions and as a precursor for sulfonamide derivatives in medicinal chemistry. Researchers also utilize it in polymer science to modify functional group reactivity.

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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).

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  • 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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