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Nicotinic anhydride
Ai3-15770 · Einecs 240-860-6 · nicotinic anhydride · Nikosamine impurity 1 · Bisnicotinic anhydride · 3-Pyridinecarboxylic Anhydride · 3-PyridinecarboxylicAnhydride>3-Pyridinecarboxylic acid, anhydride · nicotinic anhydride ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 16837-38-0 |
|---|---|
| Summenformel | C12H8N2O3 |
| Durchschnittliche Molmasse | 228,2 g/mol |
| Monoisotopische Masse | 228,05349212 g/mol |
| SMILES | O=C(OC(=O)c1cccnc1)c1cccnc1 |
| InChIKey | VPODXHOUBDCEHN-UHFFFAOYSA-N |
| PubChem CID | 85607 |
| EC No. | 240-860-6 |
| DTXSID | DTXSID60168554 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 265 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 124 °C |
| Siedepunkt | 200 °C / 1mmHg |
| Dichte | 1.317±0.06 g/cm3(Predicted) |
| Löslichkeit | soluble in Acetone |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.51±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H |
| InChIKey | VPODXHOUBDCEHN-UHFFFAOYSA-N |
| SMILES | C1(C=NC=CC=1)C(=O)OC(=O)C1C=NC=CC=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933.39.9200 |
Anwendungen & Verwendung
Verwenden
Nicotinic Anhydride is useful reactant for the synthesis of hydroxyl-functionalized iron(II) bis(NHC) complexes.
Herstellung & Synthese
synthetische
3-pyridine anhydride can be used as an organic reagent.