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Methylphenothiazin-2-ylether
2-Methoxy-10H-phenothiazine · NSC 72107 · 2-METHOXYPHENOTHIAZ · MethoxyPhenoThiazine · 2-MethoxyPhenthiazine · 2-METHOXYPHENOTHIAZINE · Phenothiazine, 2-methoxy- · 2-Methoxyphenothiazine>Levomepromazine Impurity 1
Identifikatoren & physikalische Daten
| CAS No. | 1771-18-2 |
|---|---|
| Summenformel | C13H11NOS |
| Durchschnittliche Molmasse | 229,3 g/mol |
| Monoisotopische Masse | 229,05613515 g/mol |
| SMILES | COc1ccc2c(c1)Nc1ccccc1S2 |
| InChIKey | DLYKFPHPBCTAKD-UHFFFAOYSA-N |
| PubChem CID | 74490 |
| ChEMBL | CHEMBL64404 |
| ChEBI | CHEBI:125620 |
| EC No. | 217-195-5 |
| DTXSID | DTXSID70170249 |
| Lokaler Name | Methylphenothiazin-2-ylether |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 248 |
| Schmelzpunkt | 185-188°C |
| Siedepunkt | 408.1±34.0 °C(Predicted) |
| Dichte | 1.235±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -1.32±0.20(Predicted) |
| Farbe | Pale Grey to Pale Brown |
| InChI | InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3 |
| InChIKey | DLYKFPHPBCTAKD-UHFFFAOYSA-N |
| SMILES | C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1OC |
| CAS Datenbank | 1771-18-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methoxyphenothiazine(1771-18-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60% (9 of 15) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]H411 (13.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 9 of 15 reports by companies.There are 6 notifications provided by 6 of 15 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18877 |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Sens. 1 (20%)Aquatic Chronic 2 (13.3%) |
| Zollcode | 2934309090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
An Impurity of Methotrimeprazine (M260785). A derivative of Phenothiazine (P318040) exhibits tuberculostatic activity.