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Piperazin-1,4-dicarbaldehyd
1,4-PIPERAZINEDICARBOXALDEHYDE · 1,4-Diformylpiperazine · 1,4-PIPERAZINE DIALDEHYDE · 1,4-PIPERAZINEDICARBALDEHYDE · 1,4-Diformylpiperazine, 98+% · piperazine-1,4-dicarbaldehyde · piperazine-1,4-dicarboxaldehyde · 1,4-Piperazinedicarboxaldehyde 98%
Identifikatoren & physikalische Daten
| CAS No. | 4164-39-0 |
|---|---|
| Summenformel | C6H10N2O2 |
| Durchschnittliche Molmasse | 142,16 g/mol |
| Monoisotopische Masse | 142,07422756 g/mol |
| SMILES | O=CN1CCN(C=O)CC1 |
| InChIKey | CBLGQEBXWDKYDI-UHFFFAOYSA-N |
| PubChem CID | 77821 |
| EC No. | 224-011-7 |
| DTXSID | DTXSID4063329 |
| Lokaler Name | Piperazin-1,4-dicarbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 126-129 °C(lit.) |
| Siedepunkt | 154°C 0,25mm |
| Dichte | 1.2298 (rough estimate) |
| Brechungsindex | 1.5010 (estimate) |
| Flammpunkt | 154°C/0.25mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.26±0.70(Predicted) |
| Farbe | White to Light yellow |
| BRN | 121175 |
| InChI | 1S/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2 |
| InChIKey | CBLGQEBXWDKYDI-UHFFFAOYSA-N |
| SMILES | O=CN1CCN(CC1)C=O |
| CAS Datenbank | 4164-39-0(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Piperazinedicarboxaldehyde (4164-39-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.3% (104 of 108) of all reports.Not ClassifiedAggregated GHS information provided per 108 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,4-Piperazinedicarboxaldehyde may be used in chemical synthesis studies.