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HCID 12116Erstellt: 27. Oktober 2026
Dibenzylsulfoxid
tardiold · Tardiol D · Preventol CI 5 · BENZYL SULFOXIDE · Benzyl sulphoxide · sulfoxide,dibenzyl · Dibenzyl sulfoxide · Sulfoxide, dibenzyl
https://huagongshe.com/de/chemical/12116
Identifikatoren & physikalische Daten
| CAS No. | 621-08-9 |
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| Summenformel | C14H14OS |
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| Durchschnittliche Molmasse | 230,33 g/mol |
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| Monoisotopische Masse | 230,07653607 g/mol |
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| SMILES | O=S(Cc1ccccc1)Cc1ccccc1 |
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| InChIKey | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
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| PubChem CID | 12116 |
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| ChEMBL | CHEMBL190496 |
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| EC No. | 210-668-7 |
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| DTXSID | DTXSID8022088 |
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| Lokaler Name | Dibenzylsulfoxid |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 36,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 193 |
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| Stoffklassen | Other Classes -> Sulfur Compounds |
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| SpringerMaterials Properties | Density |
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| LogP (Verteilungskoeffizient) | 1.99 |
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| Dampfdruck | 0.00000653 [mmHg]0Pa at 25℃ |
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| Physical Description | Light yellow hygroscopic powder[Sigma-Aldrich MSDS] |
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| Schmelzpunkt | 130-132 °C(lit.) |
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| Siedepunkt | 342.33°C (rough estimate) |
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| Dichte | 1.1421 (rough estimate) |
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| Brechungsindex | 1.5700 (estimate) |
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| Lagerbedingungen | Store below +30°C. |
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| Löslichkeit | 0.3g/l318.82mg/L at 20℃ |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white to pale yellow |
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| pH | 6.0-6.5 (0.3g/l, H2O, 20℃) |
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| InChI | 1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
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| InChIKey | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
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| LogP (Verteilungskoeffizient) | 1.76 at 25℃ |
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| CAS Datenbank | 621-08-9(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, 1,1'-[sulfinylbis(methylene)]bis-(621-08-9) |
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| EPA chemische Informationen | Benzene, 1,1'-[sulfinylbis(methylene)]bis- (621-08-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (106 of 106) of all reports.Not ClassifiedAggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Benzene, 1,1'-[sulfinylbis(methylene)]bis-REACH registered substance: Dibenzyl sulphoxide (EC: 210-668-7)Benzene, 1,1'-[sulfinylbis(methylene)]bis-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 600 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2930 90 98 |
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| RTECS-Nr. | DA9275000 |
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