HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Diazafluoren-9-one
Dafo · 5H-Cyclopenta[2,1-b:3,4-b']dipyridin-5-one · 5H-Cyclopenta[1,2-b:5,4-b']dipyridin-5-one · AKOS BBS-00000188 · 4,5-DIAZAFLUOREN-9-O · 4,5-DIAZAFLUOREN-9-ONE · 4,5-Diaza-9-fluorenone · 4,5-DIAZAFLUORENE-9-ONE
Identifikatoren & physikalische Daten
| CAS No. | 50890-67-0 |
|---|---|
| Summenformel | C11H6N2O |
| Durchschnittliche Molmasse | 182,18 g/mol |
| Monoisotopische Masse | 182,04801281 g/mol |
| SMILES | O=C1c2cccnc2-c2ncccc21 |
| InChIKey | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
| PubChem CID | 342157 |
| ChEMBL | CHEMBL1449639 |
| EC No. | 625-596-5 |
| DTXSID | DTXSID10321556 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 230 |
| Schmelzpunkt | 214-217 °C (lit.) |
| Siedepunkt | 396.3±17.0 °C(Predicted) |
| Dichte | 1.387±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in dichloromethane, tetrahydrofuran, chloroform, benzene, toluene and polar organic solvents. Insoluble in diethyl ether and alkanes. |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.22±0.20(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| InChI | 1S/C11H6N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6H |
| InChIKey | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
| SMILES | O=C1c2cccnc2-c3ncccc13 |
| CAS Datenbank | 50890-67-0 |
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 40 reports by companies from 3 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 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4,5-Diazafluoren-9-one behaves like cyclopentadienones and reacts with [Cp*Co(C2H4)2] to form air -stable sandwich-type complexes [Cp*Co(η4-2)].