HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dibenz[b,f][1,4]oxazepin-11(10H)-on
Amoxapine Impurity 8 · Amoxapine Impurity 10 · 5h-benzo[b][1,4]benzoxazepin-6-one · 5H-benzo[b][1,5]benzoxazepin-6-one · dibenz[b,f][1,4]oxazepin-11(10H)-one · 10H-DIBENZO[B,F][1,4]OXAZEPIN-11-ONE · o-(o-Aminophenoxy)benzoic acid lactam · Dibenzo[b,f][1,4]oxazepin-11(10H)-one
![Molekülstruktur von Dibenz[b,f][1,4]oxazepin-11(10H)-on](/img/chemical/72374.png)
Identifikatoren & physikalische Daten
| CAS No. | 3158-85-8 |
|---|---|
| Summenformel | C13H9NO2 |
| Durchschnittliche Molmasse | 211,22 g/mol |
| Monoisotopische Masse | 211,06332853 g/mol |
| SMILES | O=C1Nc2ccccc2Oc2ccccc21 |
| InChIKey | OXMPDOZBQGHTGH-UHFFFAOYSA-N |
| PubChem CID | 72374 |
| ChEMBL | CHEMBL55444 |
| EC No. | 221-601-6 |
| DTXSID | DTXSID30185470 |
| Lokaler Name | Dibenz[b,f][1,4]oxazepin-11(10H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 279 |
| Schmelzpunkt | 211-213 °C(lit.) |
| Siedepunkt | 277.4±10.0 °C(Predicted) |
| Dichte | 1.261±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.73±0.20(Predicted) |
| Farbe | Light Beige |
| InChI | 1S/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15) |
| InChIKey | OXMPDOZBQGHTGH-UHFFFAOYSA-N |
| SMILES | O=C1Nc2ccccc2Oc3ccccc13 |
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 68 reports by companies from 4 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one may be used in chemical synthesis studies.