HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3,2-Dioxathiolane, 2,2-dioxide
DTD · 1,3,2-DIOXATHIOLANE 2,2-DIOXIDE · 1,2-ETHYLENE SULFATE · Vinyl sulfate · ETHYLENESULPHATE · Ethylenedithiocarbonate · 1,3,2-Dioxathiolan-2,2-oxide · 1,3,2-Dioxathiolan-2,2-dioxide
Identifikatoren & physikalische Daten
| CAS No. | 1072-53-3 |
|---|---|
| Summenformel | C2H4O4S |
| Durchschnittliche Molmasse | 124,12 g/mol |
| Monoisotopische Masse | 123,98302961 g/mol |
| SMILES | O=S1(=O)OCCO1 |
| InChIKey | ZPFAVCIQZKRBGF-UHFFFAOYSA-N |
| PubChem CID | 14075 |
| ChEMBL | CHEMBL3186939 |
| EC No. | 600-809-4 |
| DTXSID | DTXSID3020598 |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 61 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 128 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 95-97 °C (lit.) |
| Siedepunkt | 231.1±7.0℃ (760 Torr) |
| Dichte | 1.604±0.06 g/cm3 (20 ºC 760 Torr) |
| Dampfdruck | 0.91-1.7Pa at 20-25℃ |
| Brechungsindex | 1.5090 (estimate) |
| Flammpunkt | 93.5±18.2℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2 |
| InChIKey | ZPFAVCIQZKRBGF-UHFFFAOYSA-N |
| SMILES | C1OS(=O)(=O)OC1 |
| LogP (Verteilungskoeffizient) | -0.45 at 23℃ and pH1.4-1.7 |
| Oberflächenspannung | 66.8mN/m at 1g/L and 20℃ |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (2 of 80) of reports.DangerH302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23959 |
| Hazard Classes and Categories | Acute Tox. 4 (92.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29209085 |
| RTECS-Nr. | JH4800000 |
| R-Sätze (R) | 22 |
| Lagerklasse | 8B - Non-combustible corrosive hazardous materials |
| Gefahrenklasse | Acute Tox. 4 OralCarc. 2Eye Dam. 1Skin Corr. 1BSkin Sens. 1B |
Anwendungen & Verwendung
Verwenden
1,3,2-Dioxathiolane 2,2-Dioxide is an alkylating agent with carcinogenic activty.