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Pyridine-2,6-dicarboxamide
PYRIDINE-2,6-DICARBOXAMIDE · Pyridine-2,6-Diformamide · 2,6-Pyridinedicarboxamide · 2,6-Pyridinedicarboxamide 97% · pyridine-2,6-dicarboxylic acid diamide
Identifikatoren & physikalische Daten
| CAS No. | 4663-97-2 |
|---|---|
| Summenformel | C7H7N3O2 |
| Durchschnittliche Molmasse | 165,15 g/mol |
| Monoisotopische Masse | 165,05382648 g/mol |
| SMILES | NC(=O)c1cccc(C(N)=O)n1 |
| InChIKey | UUVCRNTVNKTNRK-UHFFFAOYSA-N |
| PubChem CID | 854039 |
| ChEMBL | CHEMBL443107 |
| EC No. | 627-595-5 |
| DTXSID | DTXSID10357532 |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 99,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 185 |
| Löslichkeit | >24.8 [ug/mL] (The mean of the results at pH 7.4) |
| Schmelzpunkt | 317 °C (dec.) (lit.) |
| Siedepunkt | 479.5±30.0 °C(Predicted) |
| Dichte | 1.375±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 14.33±0.50(Predicted) |
| InChI | 1S/C7H7N3O2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,(H2,8,11)(H2,9,12) |
| InChIKey | UUVCRNTVNKTNRK-UHFFFAOYSA-N |
| SMILES | NC(=O)c1cccc(n1)C(N)=O |
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 39 reports by companies from 2 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) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Pyridinedicarboxamide may be used in the preparation of new molecular turnstiles based on Sn-porphyrin derivatives.