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Pyridin-2,6-diacetyl
1,1'-(pyridine-2,6-diyl)bis(ethan-1-one) · 1,1'-(pyridine-2,6-diyl)diethanone · 2,6-DiacetyL · 2,6-diacetylpyrdine · 2,6-DIACETYLPYRIDINE · Pyridin-2,6-diacetyl · pyridine-2,6-diacetyl · 2,6-Diacetylpyridine>2,6-Diacetylpyridine,99%
Identifikatoren & physikalische Daten
| CAS No. | 1129-30-2 |
|---|---|
| Summenformel | C9H9NO2 |
| Durchschnittliche Molmasse | 163,17 g/mol |
| Monoisotopische Masse | 163,06332853 g/mol |
| SMILES | CC(=O)c1cccc(C(C)=O)n1 |
| InChIKey | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| PubChem CID | 70790 |
| EC No. | 214-442-9 |
| DTXSID | DTXSID10150202 |
| Lokaler Name | Pyridin-2,6-diacetyl |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 47 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 181 |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 79-82 °C (lit.) |
| Siedepunkt | 126 °C / 6mmHg |
| Dichte | 1.2021 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Crystalline Needles or Powder |
| pKa (Säurekonstante) | 0.88±0.10(Predicted) |
| Farbe | White to off-white |
| Löslichkeit | Soluble in water, chloroform, and DMSO. |
| BRN | 118286 |
| InChI | InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3 |
| InChIKey | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| SMILES | C1(C(=O)C)=NC(C(=O)C)=CC=C1 |
| LogP (Verteilungskoeffizient) | 1.319 (est) |
| CAS Datenbank | 1129-30-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (95.8%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-15-10 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36-43-7/8 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Diacetylpyridine is used as intermediate in organic synthesis. It is a precursor to ligands in coordination chemistry.