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10-Methyl-10H-phenothiazin
N-METHYLPHENOTHIAZINE · 10-Methyl-10H-phenothiazine · AKOS 93806 · 10-METHYLPHENOTHIAZINE · 2 - Methyl Phenothiazine · 10-Methylphenothiazine>Phenothiazine, 10-methyl- · 10-Methylphenothiazine,98% · 10-Methylphenothiazine 98%
Identifikatoren & physikalische Daten
| CAS No. | 1207-72-3 |
|---|---|
| Summenformel | C13H11NS |
| Durchschnittliche Molmasse | 213,3 g/mol |
| Monoisotopische Masse | 213,06122035 g/mol |
| SMILES | CN1c2ccccc2Sc2ccccc21 |
| InChIKey | QXBUYALKJGBACG-UHFFFAOYSA-N |
| PubChem CID | 71015 |
| ChEMBL | CHEMBL4740697 |
| ChEBI | CHEBI:125497 |
| EC No. | 214-896-8 |
| DTXSID | DTXSID9061623 |
| Lokaler Name | 10-Methyl-10H-phenothiazin |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 209 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 99-101 °C (lit.) |
| Siedepunkt | 341.6±12.0 °C(Predicted) |
| Dichte | 1.1168 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.56±0.20(Predicted) |
| Farbe | White to Light yellow |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3 |
| InChIKey | QXBUYALKJGBACG-UHFFFAOYSA-N |
| SMILES | C1=C2C(SC3=C(N2C)C=CC=C3)=CC=C1 |
| CAS Datenbank | 1207-72-3(CAS DataBase Reference) |
| EPA chemische Informationen | 10H-Phenothiazine, 10-methyl- (1207-72-3) |
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)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2934.30.5000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
They are used in pharmaceutical manufacturing especially antipsychotic drugs. Also used as a stabilizer against polymerization of acrylates.