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Furo[3,4-b]pyrazin-5,7-dion
FURO[3,4-B]PYRAZINE-5,7-DIONE · 2,3-PYRAZINEDICARBOXYLIC ANHYDRIDE · PYRAZINE-2,3-DICARBOXYLIC ANHYDRIDE · Zopiclone Impurity 5 · 2,3-Pyrazine Dicarbo · pyrazine-2,3-dicarboxylic · furo[3,4-b]pyrazine-5,7-quinone · 2,3-PYRAZINECARBOXYLIC ANHYDRIDE
![Molekülstruktur von Furo[3,4-b]pyrazin-5,7-dion](/img/chemical/78482.png)
Identifikatoren & physikalische Daten
| CAS No. | 4744-50-7 |
|---|---|
| Summenformel | C6H2N2O3 |
| Durchschnittliche Molmasse | 150,09 g/mol |
| Monoisotopische Masse | 150,00654192 g/mol |
| SMILES | O=C1OC(=O)c2nccnc21 |
| InChIKey | AWJWCTOOIBYHON-UHFFFAOYSA-N |
| PubChem CID | 78482 |
| EC No. | 225-260-4 |
| DTXSID | DTXSID20197143 |
| Lokaler Name | Furo[3,4-b]pyrazin-5,7-dion |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 194 |
| Schmelzpunkt | 210 °C (dec.)(lit.) |
| Siedepunkt | 357.3±22.0 °C(Predicted) |
| Dichte | 1.686±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Actonitrile (Slightly), DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -3.43±0.20(Predicted) |
| Farbe | White to light brown crystalline powder |
| InChI | InChI=1S/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/h1-2H |
| InChIKey | AWJWCTOOIBYHON-UHFFFAOYSA-N |
| SMILES | C12C(=O)OC(=O)C1=NC=CN=2 |
| LogP (Verteilungskoeffizient) | -0.900 (est) |
| CAS Datenbank | 4744-50-7(CAS DataBase Reference) |
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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19939 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Pyrazinedicarboxylic Anhydride is a reagent used in the synthesis of highly potent and selective abietane type diterpenoid amides.