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(Ethylsulfonyl)benzol
Ethanesulfonyl-benzene · Alkylphenylsulfone · phenylsulfonylethane · Phenyl ethyl sulfone · ETHYLSULFONYLBENZENE · ETHYL PHENYL SULFONE · ETHYL PHENYL SULPHONE · Sulfone, ethyl phenyl
Identifikatoren & physikalische Daten
| CAS No. | 599-70-2 |
|---|---|
| Summenformel | C8H10O2S |
| Durchschnittliche Molmasse | 170,23 g/mol |
| Monoisotopische Masse | 170,04015056 g/mol |
| SMILES | CCS(=O)(=O)c1ccccc1 |
| InChIKey | VBQUDDWATQWCPP-UHFFFAOYSA-N |
| PubChem CID | 69032 |
| ChEMBL | CHEMBL162438 |
| ChEBI | CHEBI:194780 |
| EC No. | 209-972-2 |
| DTXSID | DTXSID00870664 |
| Lokaler Name | (Ethylsulfonyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 195 |
| Stoffklassen | Other Classes -> Benzenesulfonic Acid Derivatives |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Solid[Aldrich MSDS] |
| Schmelzpunkt | 35-40 °C (lit.) |
| Siedepunkt | 103 °C / 1mmHg |
| Dichte | 1.14 |
| Brechungsindex | 1.5090 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| BRN | 2045095 |
| InChI | 1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | VBQUDDWATQWCPP-UHFFFAOYSA-N |
| SMILES | CCS(=O)(=O)c1ccccc1 |
| CAS Datenbank | 599-70-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, (ethylsulfonyl)-(599-70-2) |
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. |
|---|---|
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl phenyl sulfone may be used in the preparation of (±)-α-multistriatin.