HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Methylsulfonyl)benzol
Ethephon Impurity 7 · sulfone,methylphenyl · METHYLSULFONYLBENZENE · PHENYL METHYL SULFONE · METHYL PHENYL SULFONE · METHYL PHENYL SULPHONE · MethylPhenylSulfone>Methayl phenol sulfone · (Phenylsulfonyl)methane
Identifikatoren & physikalische Daten
| CAS No. | 3112-85-4 |
|---|---|
| Summenformel | C7H8O2S |
| Durchschnittliche Molmasse | 156,2 g/mol |
| Monoisotopische Masse | 156,0245005 g/mol |
| SMILES | CS(=O)(=O)c1ccccc1 |
| InChIKey | JCDWETOKTFWTHA-UHFFFAOYSA-N |
| PubChem CID | 18369 |
| ChEMBL | CHEMBL116841 |
| EC No. | 221-476-8 |
| DTXSID | DTXSID1075228 |
| Lokaler Name | (Methylsulfonyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 182 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 85-87 °C |
| Siedepunkt | 250.45°C (rough estimate) |
| Dichte | 1.2474 (rough estimate) |
| Brechungsindex | 1.5248 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | sol ethanol, benzene.insoluble |
| Aggregatzustand | Crystals |
| Farbe | White |
| BRN | 1906914 |
| InChI | 1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | JCDWETOKTFWTHA-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)c1ccccc1 |
| CAS Datenbank | 3112-85-4(CAS DataBase Reference) |
| NIST chemische Informationen | Sulfone, methyl phenyl(3112-85-4) |
| EPA chemische Informationen | Benzene, (methylsulfonyl)- (3112-85-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309090 |
| RTECS-Nr. | WR6800000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Methyl phenyl sulfone is usually used in the lithiated form and reacts with a variety of electrophiles.
Verwenden
Methyl phenyl sulfone, a versatile building block for the construction of chemicals with diverse functionalities
Herstellung & Synthese
synthetische
Methyl phenyl sulfone is prepared by the reaction of Sodium Benzenesulfinate with Dimethyl Sulfate; by oxidation of methyl phenyl sulfide with 30% Hydrogen Peroxide in acetic acid; or by the reaction of polymer-supported benzenesulfinate anion with Iodomethane in refluxing benzene.