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Tetrahydrothiophen-1-oxid
TETRAHYDROTHIOPHENE 1-OXIDE · TETRAHYDROTHIOPHENE OXIDE · Thiophane oxide · thiophane1-oxide · Thiolane 1-oxide · Thiophane 1-oxide · thiophanemonoxide · 1λ?-thiolan-1-one
Identifikatoren & physikalische Daten
| CAS No. | 1600-44-8 |
|---|---|
| Summenformel | C4H8OS |
| Durchschnittliche Molmasse | 104,17 g/mol |
| Monoisotopische Masse | 104,02958588 g/mol |
| SMILES | O=S1CCCC1 |
| InChIKey | ISXOBTBCNRIIQO-UHFFFAOYSA-N |
| PubChem CID | 1128 |
| ChEMBL | CHEMBL1207 |
| ChEBI | CHEBI:138746 |
| EC No. | 216-493-2 |
| DTXSID | DTXSID6061814 |
| Lokaler Name | Tetrahydrothiophen-1-oxid |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 61,9 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | -0.96 |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 235-237 °C(lit.) |
| Dichte | 1.158 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.52(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Löslichkeit | Fully miscible in water. |
| BRN | 105274 |
| Dielektrizitätskonstante | 5.6(25℃) |
| InChI | 1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2 |
| InChIKey | ISXOBTBCNRIIQO-UHFFFAOYSA-N |
| SMILES | O=S1CCCC1 |
| CAS Datenbank | 1600-44-8(CAS DataBase Reference) |
| EPA chemische Informationen | Thiophene, tetrahydro-, 1-oxide (1600-44-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Thiophene, tetrahydro-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 3,500 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Dimethyl sulfoxide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29041000 |
| RTECS-Nr. | XN0830000 |
| Toxizität | mouse,LD50,intraperitoneal,3500mg/kg (3500mg/kg),International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. Vol. 3, Pg. 41, 1961. |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
In a comparative study of aromatic fluorodenitration with Potassium fluoride, in several dipolar aprotic solvents, a much faster reaction rate was observed with DMSO or tetramethylene sulfoxide than with the more commonly used Sulfolane.