HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenothiazine-5-oxide
Phenothiazine sulfoxide · AKOS 93707 · USAF do-16 · 5-Oxophenothiazine · Phenothiazine-5-oxide · Phenothiazine S-oxide · Phenothiazine monoxide · Cyamemazine Impurity 4
Identifikatoren & physikalische Daten
| CAS No. | 1207-71-2 |
|---|---|
| Summenformel | C12H9NOS |
| Durchschnittliche Molmasse | 215,27 g/mol |
| Monoisotopische Masse | 215,04048508 g/mol |
| SMILES | O=S1c2ccccc2Nc2ccccc21 |
| InChIKey | DSAFSORWJPSMQS-UHFFFAOYSA-N |
| PubChem CID | 71014 |
| ChEMBL | CHEMBL1396515 |
| ChEBI | CHEBI:125466 |
| EC No. | 634-240-8 |
| DTXSID | DTXSID0074471 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 244 |
| Schmelzpunkt | >175°C (dec.) |
| Siedepunkt | 433.3±15.0 °C(Predicted) |
| Dichte | 1.44±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Room Temperature, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -2.88±0.20(Predicted) |
| Farbe | Pale Beige to Pale Brown |
| EPA chemische Informationen | 10H-Phenothiazine, 5-oxide (1207-71-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317 |
Anwendungen & Verwendung
Verwenden
10H-Phenothiazine 5-Oxide is a by-product in the synthesis of Phenothiazine S,S-Dioxide (P297600). Phenothiazine S,S-Dioxide is a derivative of Phenothiazine (P318040), a key component of antipsychotic and antihistaminic drugs.