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Pyridin-2,3-dicarbonsureanhydrid
FURO[3,4-B]PYRIDINE-5,7-DIONE · Quinolinic Acid Anhydride · NSC 44309 · Quinoline anhydride · Pyridinic Anhydride · QUINOLINIC ANHYDRIDE · 2,3-Pyridinedicarbox · 2,3-pyridine anhydride
Identifikatoren & physikalische Daten
| CAS No. | 699-98-9 |
|---|---|
| Summenformel | C7H3NO3 |
| Durchschnittliche Molmasse | 149,1 g/mol |
| Monoisotopische Masse | 149,01129296 g/mol |
| SMILES | O=C1OC(=O)c2ncccc21 |
| InChIKey | MCQOWYALZVKMAR-UHFFFAOYSA-N |
| PubChem CID | 69688 |
| EC No. | 211-834-1 |
| DTXSID | DTXSID1061023 |
| Lokaler Name | Pyridin-2,3-dicarbonsureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 214 |
| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 137-139 °C (lit.) |
| Siedepunkt | 270.14°C (rough estimate) |
| Dichte | 1.4974 (rough estimate) |
| Brechungsindex | 1.4835 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -2.24±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| Löslichkeit | Optimal solubility in water. |
| BRN | 125111 |
| InChI | InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H |
| InChIKey | MCQOWYALZVKMAR-UHFFFAOYSA-N |
| SMILES | C12C(=O)OC(=O)C1=CC=CN=2 |
| CAS Datenbank | 699-98-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Pyridinedicarboxylic anhydride(699-98-9) |
| EPA chemische Informationen | Furo[3,4-b]pyridine-5,7-dione (699-98-9) |
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 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Furo3,4-bpyridine-5,7-dione: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See ACID ANHYDRIDES. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Quinolinic Anhydride (cas# 699-98-9) is a compound useful in organic synthesis.