HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76949Erstellt: 27. Oktober 2026
1-Phenyl-2-(phenylsulfonyl)ethan-1-on
TIMTEC-BB SBB009912 · 2-BENZENESULFONYLACETOPHENONE · (Phenylsulfonylacetyl)benzene · 2-(PHENYLSULFONYL)ACETOPHENONE · à-(benzenesulfonyl)acetophenone · 2-Oxo-2-phenylethylphenyl sulfone · Acetophenone, 2-(phenylsulfonyl)- · ALPHA-(PHENYLSULFONYL)ACETOPHENONE
https://huagongshe.com/de/chemical/76949
Identifikatoren & physikalische Daten
| CAS No. | 3406-03-9 |
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| Summenformel | C14H12O3S |
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| Durchschnittliche Molmasse | 260,31 g/mol |
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| Monoisotopische Masse | 260,05071524 g/mol |
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| SMILES | O=C(CS(=O)(=O)c1ccccc1)c1ccccc1 |
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| InChIKey | DREVPGKOIZVPQV-UHFFFAOYSA-N |
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| PubChem CID | 76949 |
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| ChEMBL | CHEMBL379738 |
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| EC No. | 222-292-0 |
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| DTXSID | DTXSID20187660 |
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| Lokaler Name | 1-Phenyl-2-(phenylsulfonyl)ethan-1-on |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 59,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 368 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 1.86 |
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| Schmelzpunkt | 93-95 °C(lit.) |
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| Siedepunkt | 373.57°C (rough estimate) |
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| Dichte | 1.2959 (rough estimate) |
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| Brechungsindex | 1.5050 (estimate) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Löslichkeit | soluble in Benzene |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| BRN | 1879574 |
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| CAS Datenbank | 3406-03-9(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)Aggregated GHS information provided per 41 reports by companies from 4 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) | 3 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39-24/25 |
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| Gefahrenklasse | IRRITANT |
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