HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10285804Erstellt: 3. November 2026
Methyl-13C phenyl sulfoxide
Methyl-13C phenyl sulfoxide · Benzene, (methyl-13C-sulfinyl)-
https://huagongshe.com/de/chemical/10285804
Identifikatoren & physikalische Daten
| CAS No. | 207990-68-9 |
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| Summenformel | C7H8OS |
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| Durchschnittliche Molmasse | 141,2 g/mol |
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| Monoisotopische Masse | 141,03294088 g/mol |
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| SMILES | [13CH3]S(=O)c1ccccc1 |
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| InChIKey | JXTGICXCHWMCPM-OUBTZVSYSA-N |
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| PubChem CID | 10285804 |
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| EC No. | 694-015-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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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 | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 105 |
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| Schmelzpunkt | 26-29°C (lit.) |
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| Siedepunkt | 139-140°C/14mmHg (lit.) |
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| Dichte | 1.200±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| SMILES | [13CH3]S(=O)c1ccccc1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
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