Diphenylsulfon
Sulfonyldibenzene · DIPHENYL SULPHONE · PHENYL SULFONE · Phenyl sulphone · s-97 · SULFOBENZIDE · s-127 · 'LGC' (1617)
Identifikatoren & physikalische Daten
| CAS No. | 127-63-9 |
|---|---|
| Summenformel | C12H10O2S |
| Durchschnittliche Molmasse | 218,27 g/mol |
| Monoisotopische Masse | 218,04015056 g/mol |
| SMILES | O=S(=O)(c1ccccc1)c1ccccc1 |
| InChIKey | KZTYYGOKRVBIMI-UHFFFAOYSA-N |
| PubChem CID | 31386 |
| ChEMBL | CHEMBL263327 |
| ChEBI | CHEBI:78360 |
| EC No. | 204-853-1 |
| DTXSID | DTXSID6041892 |
| Lokaler Name | Diphenylsulfon |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 253 |
| Stoffklassen | Industrial compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Pesticides -> Other Insecticides |
| LogP (Verteilungskoeffizient) | 2.41 |
| Dampfdruck | 0.0000153 [mmHg]0.001Pa at 50℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Dry PowderLarge CrystalsWhite solid[Merck Index] Fine faintly brown crystals[MSDSonline] |
| Schmelzpunkt | 123-129 °C (lit.) |
| Siedepunkt | 379 °C (lit.) |
| Dichte | 1.36 |
| Brechungsindex | 1.5200 (estimate) |
| Flammpunkt | 184°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | >14mg/linsoluble |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Merck | 14,3332 |
| BRN | 1910573 |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
| InChIKey | KZTYYGOKRVBIMI-UHFFFAOYSA-N |
| SMILES | O=S(=O)(c1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 2.61 |
| CAS Datenbank | 127-63-9(CAS DataBase Reference) |
| NIST chemische Informationen | Diphenyl sulfone(127-63-9) |
| EPA chemische Informationen | Diphenylsulfone (127-63-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 21.9% (37 of 169) of reports.WarningH302 (77.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 169 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,1'-sulfonylbis-Benzene, 1,1'-sulfonylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-sulfonylbis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13714Diphenyl sulphone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (77.5%) |
| Toxicity Data | LC (rat) > 1,700 mg/m3/8h |
| RAIS Toxicity Values | 0.0008SCREEN Current0.008PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | Diphenyl SulfonePDF DocumentInadequate information to assess carcinogenic potential2009 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 5.10e+016.60e+021.50e+013e-053.60e-028.00e-04 |
Anwendungen & Verwendung
Beschreibung
Diphenyl sulfone (DPS) serves as a specialized polymerization solvent for polyetheretherketone (PEEK) copolymers and their composites. The high boiling point and thermal stability of DPS allow the polymerization reaction to proceed smoothly at higher temperatures (160–320 °C), resulting in high-molecular-weight polymers. The resulting PEEK polymers can be used as implant materials in orthopedic spinal surgery[1].
Verwenden
Diphenyl sulfone was identified as the preferred solvent. Diphenyl sulfone is chemically and thermally stable as compared to dimethyl sulfoxide.
Herstellung & Synthese
synthetische
Diphenyl sulfone is produced by the sulfonation of benzene with sulfuric acid and oleum. It is also produced from benzenesulfonyl chloride and benzene.