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Pyridin-2,6-dicarbaldehyd
PYRIDINE-2,6-DICARBALDEHYDE · Pyridine-2,6-dicarboxaldehyde · 2,6-Diformylpyridine · 2,6-Pyridinedicarbox · 2,6-Pyridine dialdehyde · 2,6-Pyridinedicarbaldehyde · 2,6-PYRIDINEDICARBOXADEHYDE · 2,6-PYRIDINEDICARBOXALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 5431-44-7 |
|---|---|
| Summenformel | C7H5NO2 |
| Durchschnittliche Molmasse | 135,12 g/mol |
| Monoisotopische Masse | 135,0320284 g/mol |
| SMILES | O=Cc1cccc(C=O)n1 |
| InChIKey | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
| PubChem CID | 79485 |
| EC No. | 226-589-6 |
| DTXSID | DTXSID80202681 |
| Lokaler Name | Pyridin-2,6-dicarbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 47 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Schmelzpunkt | 124-125 °C (lit.) |
| Siedepunkt | 152-154 °C/103 mmHg (lit.) |
| Dichte | 1.3124 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.84±0.10(Predicted) |
| Farbe | White to tan |
| InChI | InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H |
| InChIKey | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
| SMILES | C1(C=O)=NC(C=O)=CC=C1 |
| CAS Datenbank | 5431-44-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Pyridinedicarboxaldehyde(5431-44-7) |
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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Pyridinedicarboxaldehyde is an intermediate used to prepare functionalized resin Amberlite XAD-4,boron-dipyrromethene (BODIPY)-based fluorescence probe with a N,N′-(pyridine-2, 6-diylbis(methylene))-dianiline substituent and novel N-heterocyclic chitosan aerogel derivatives.