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HCID 80064Erstellt: 27. Oktober 2026
1,2-Oxathiolan-5-one, 2,2-dioxide
2,2-dioxooxathiolan-5-one · B-SulfopropionicAnhydride · β-Sulfopropionic Anhydride · b-Sulphopropionic Anhydride · 1,2λ6-oxathiolane-2,2,5-trione · 1,2-Oxathiolan-5-one 2,2-dioxide · 1,2$l^{6}-oxathiolane-2,2,5-trione · 1,2-Lambda(6)-oxathiolane-2,2,5-trione
https://huagongshe.com/de/chemical/80064
Identifikatoren & physikalische Daten
| CAS No. | 5961-88-6 |
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| Summenformel | C3H4O4S |
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| Durchschnittliche Molmasse | 136,13 g/mol |
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| Monoisotopische Masse | 135,98302961 g/mol |
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| SMILES | O=C1CCS(=O)(=O)O1 |
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| InChIKey | RVLHNHNPUBWSEE-UHFFFAOYSA-N |
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| PubChem CID | 80064 |
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| EC No. | 833-074-5 |
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| DTXSID | DTXSID8064068 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
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| Polarare Oberfläche (TPSA) | 68,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 196 |
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| Schmelzpunkt | 76-77 °C |
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| Siedepunkt | 247.9±23.0 °C(Predicted) |
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| Dichte | 1.643±0.06 g/cm3(Predicted) |
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| InChI | InChI=1S/C3H4O4S/c4-3-1-2-8(5,6)7-3/h1-2H2 |
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| InChIKey | RVLHNHNPUBWSEE-UHFFFAOYSA-N |
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| SMILES | C1(OS(=O)(=O)CC1)=O |
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| EPA chemische Informationen | 1,2-Oxathiolan-5-one, 2,2-dioxide (5961-88-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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