4,4'-Oxybis(benzol-1-sulfonyl)dichlorid
OBSC · P,P-Oxybisbe · 4,4'-Bis(chlorosulfonyl) · oxybis(benzenesulfonylchloride) · 4,4'-Oxybenzenesulfonylchloride · BIS(4-CHLOROSULFONYLPHENYL) ETHER · P,P-Oxybisbenzenesulfonylchloride · 4,4’-oxydibenzenesulfonylchloride
Identifikatoren & physikalische Daten
| CAS No. | 121-63-1 |
|---|---|
| Summenformel | C12H8Cl2O5S2 |
| Durchschnittliche Molmasse | 367,2 g/mol |
| Monoisotopische Masse | 365,9190211 g/mol |
| SMILES | O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 |
| InChIKey | HJKXLQIPODSWMB-UHFFFAOYSA-N |
| PubChem CID | 8484 |
| EC No. | 204-488-8 |
| DTXSID | DTXSID5059531 |
| Lokaler Name | 4,4'-Oxybis(benzol-1-sulfonyl)dichlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 94,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 483 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| Physical Description | White solidReacts with water[MSDSonline] |
| Schmelzpunkt | 124-127°C |
| Siedepunkt | 471.8±30.0 °C(Predicted) |
| Dichte | 1.573±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO, Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 2169540 |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H |
| InChIKey | HJKXLQIPODSWMB-UHFFFAOYSA-N |
| SMILES | O(C1=CC=C(S(Cl)(=O)=O)C=C1)C1=CC=C(S(Cl)(=O)=O)C=C1 |
| CAS Datenbank | 121-63-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonyl chloride, 4,4'-oxybis- (121-63-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 4,4'-oxybis(benzene-1-sulphonyl) dichloride (EC: 204-488-8) |
| Gefahrenübersicht | A corrosive substance that can cause injury to the skin, eyes, and respiratory tract[MSDSonline] See Diphenyl ether. |
| Hazard Classes and Categories | Met. Corr. 1 (33.3%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 29350090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 36/37/39-27-26 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
| Gefahrstoffdaten | 121-63-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
4,4'-Bis(chlorosulfonyl)diphenyl ether can be used in organic synthesis, pharmaceutical, also is a plasticizer. It Is agent intermediates of OBSH foaming.
Herstellung & Synthese
synthetische
Preparation of 4,4'-bis(chlorosulphonyl)diphenyl ether: Slowly add chlorosulphuric acid (20 mL) to diphenyl ether (8.5 g). Stir the reaction mixture at room temperature for 2 h. Pour the mixture into 200 mL of ice-cold water. Collect the crude bis(chlorosulphonyl) diphenyl ether by filtration. Wash the white solid with water. Dry the solid under reduced pressure to afford the title compound, 4,4'-bis(chlorosulphonyl) diphenyl ether.