Description

1,2-Oxathiolan-5-one, 2,2-dioxide (CAS No. 5961-88-6) is a highly specialized cyclic sulfonic anhydride with the molecular formula C₃H₄O₄S. This compound is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive sulfonyl group and cyclic anhydride structure. It serves as a versatile intermediate for sulfonation reactions, esterification, and polymerization processes. Available in high purity (>98%), this product is rigorously tested for consistency and performance, ensuring reliable results in demanding laboratory and industrial applications. Suitable for researchers and scientists requiring precise and reactive chemical building blocks.

Properties

• CAS Number: 5961-88-6
• Complexity: 196
• IUPAC Name: 2,2-dioxooxathiolan-5-one
• InChI: InChI=1S/C3H4O4S/c4-3-1-2-8(5,6)7-3/h1-2H2
• InChI Key: RVLHNHNPUBWSEE-UHFFFAOYSA-N
• Exact Mass: 135.98302978
• Molecular Formula: C3H4O4S
• Molecular Weight: 136.13
• SMILES: C1CS(=O)(=O)OC1=O
• Topological: 68.8
• Monoisotopic Mass: 135.98302978
• Synonyms: 5961-88-6, 1,2-Oxathiolan-5-one, 2,2-dioxide, Sulfopropionic anhydride, 3-Sulfopropionic anhydride, Sulfopropionic acid anhydride, 3-Sulfopropionic acid cyclic anhydride, Propanoic acid, 3-sulfo-, cyclic anhydride, Propionic acid, 3-sulfo-, cyclic anhydride, NSC 66415, DTXSID8064068, DTXCID1042655, 1,2-Oxathiolan-5-one 2,2-dioxide, 2,2-dioxooxathiolan-5-one, B-SulfopropionicAnhydride, Sulfopropanoic anhydride, .beta.-Sulfopropionic anhydride, NSC66415, NSC-66415, 1,2lambda6-oxathiolane-2,2,5-trione, 1,2??-oxathiolane-2,2,5-trione, beta-Sulfopropionic acid anhydride, 1,2^{6}-oxathiolane-2,2,5-trione, 4FN2AZ7EUW, SCHEMBL137893, Propanoic acid, cyclic anhydride, Propionic acid, cyclic anhydride, 1,2-Oxathiolan-5-one2,2-dioxide, MFCD07783392, 1,2-oxathiolane-5-one-2,2-dioxide, 1,2|E?-oxathiolane-2,2,5-trione, 1,2|E6-oxathiolane-2,2,5-trione, AKOS006287592, NCGC00666116-01, NS-01063, CS-0264502, EN300-92907, G50112

1,2-Oxathiolan-5-one, 2,2-dioxide is commonly employed as a sulfonating agent in organic synthesis, particularly for introducing sulfonate groups into target molecules. It finds use in pharmaceutical research for modifying drug candidates to enhance solubility or bioavailability. Additionally, this compound is applied in polymer chemistry as a crosslinking agent or monomer for specialty materials.

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.