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Atomfair 1,3,2Lambda6-benzodioxathiole-2,2-dione C6H4O4S CAS 4074-55-9

1,3,2Lambda6-benzodioxathiole-2,2-dione (CAS No. 4074-55-9) is a high-purity heterocyclic sulfone compound with the molecular formula C6H4O4S . This specialized chemical features a benzodioxathiole core structure with a sulfone (dioxide) functional group, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical intermediates, material science research, and organocatalysis development. Supplied as a crystalline solid with ≥95% purity (HPLC), characterized by1H/13C NMR and LC-MS. Store in airtight containers at 2-8°C under inert atmosphere. For research use only – not for drug or household use.

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Description

1,3,2Lambda6-benzodioxathiole-2,2-dione (CAS No. 4074-55-9) is a high-purity heterocyclic sulfone compound with the molecular formula C6H4O4S. This specialized chemical features a benzodioxathiole core structure with a sulfone (dioxide) functional group, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical intermediates, material science research, and organocatalysis development. Supplied as a crystalline solid with ≥95% purity (HPLC), characterized by 1H/13C NMR and LC-MS. Store in airtight containers at 2-8°C under inert atmosphere. For research use only – not for drug or household use.

Properties

  • CAS Number: 4074-55-9
  • Complexity: 220
  • IUPAC Name: 1,3,2lambda6-benzodioxathiole 2,2-dioxide
  • InChI: InChI=1S/C6H4O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H
  • InChI Key: ORZMSMCZBZARKY-UHFFFAOYSA-N
  • Exact Mass: 171.98302978
  • Molecular Formula: C6H4O4S
  • Molecular Weight: 172.16
  • SMILES: C1=CC=C2C(=C1)OS(=O)(=O)O2
  • Topological: 61
  • Monoisotopic Mass: 171.98302978
  • Synonyms: 1,3,2lambda6-benzodioxathiole-2,2-dione, 886-563-0, 4074-55-9, 1,3,2-Benzodioxathiole, 2,2-dioxide, Benzo[d][1,3,2]dioxathiole 2,2-dioxide, 1,3,2-benzodioxathiole 2,2-dioxide, 1,3,2lambda6-benzodioxathiole 2,2-dioxide, benzene sulfate, Pyrocatechol cyclic sulfate, SCHEMBL1281505, DTXSID00396293, ORZMSMCZBZARKY-UHFFFAOYSA-N, EAA07455, 1,3,2-benzodioxathiol 2,2-dioxide, AKOS005090457, Benzo[d][1,3,2]dioxathiole2,2-dioxide, 4J-025, G28090, EN300-2009882

Application

This compound serves as a key building block in the synthesis of sulfur-containing heterocycles for medicinal chemistry applications. Researchers utilize it as a precursor for developing novel benzodioxathiole derivatives with potential biological activity. In materials science, it finds use in the preparation of specialty polymers with enhanced thermal stability. The sulfone moiety makes it valuable for studying nucleophilic substitution reactions in heterocyclic systems.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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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

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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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