HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76561Erstellt: 4. November 2026
[(phenylmethyl)sulfonyl]benzol
[(phenylmethyl)sulfonyl]benzene · (Benzylsulfonyl) · Benzy Pheny Sulfone · phenylbenzylsulfone · BENZYL PHENYL SULFON · sulfone,benzylphenyl · Benzyl phenyl sulfone · BENZYL PHENYL SULPHONE
https://huagongshe.com/de/chemical/76561
Identifikatoren & physikalische Daten
| CAS No. | 3112-88-7 |
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| Summenformel | C13H12O2S |
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| Durchschnittliche Molmasse | 232,3 g/mol |
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| Monoisotopische Masse | 232,05580079 g/mol |
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| SMILES | O=S(=O)(Cc1ccccc1)c1ccccc1 |
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| InChIKey | FABCMLOTUSCWOR-UHFFFAOYSA-N |
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| PubChem CID | 76561 |
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| ChEMBL | CHEMBL189988 |
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| EC No. | 221-477-3 |
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| DTXSID | DTXSID10185059 |
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| Lokaler Name | [(phenylmethyl)sulfonyl]benzol |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 42,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 290 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 2.05 |
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| Schmelzpunkt | 146-150 °C |
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| Siedepunkt | 344.47°C (rough estimate) |
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| Dichte | 1.2321 (rough estimate) |
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| Brechungsindex | 1.5200 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white |
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| BRN | 2049938 |
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| CAS Datenbank | 3112-88-7(CAS DataBase Reference) |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 29041000 |
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| RTECS-Nr. | WR2700000 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36/37/39-26 |
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![Molekülstruktur von [(phenylmethyl)sulfonyl]benzol](/img/chemical/76561.png)