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Pyridin-2,6-dicarbonyldichlorid
pyridine-2,6-dicarbonyl dichloride · 2,6-PYRIDINEDICARBONYL DICHLORIDE · 2,6-Pyridinedicarbonyl chloride · 2,6-pyridinediformyl chloride · 2,6-Bis(chlorocarbonyl)pyridine · PYRIDINE-2,6-DICARBONYL CHLORIDE · Pyridine-2,6-biscarbonyl chloride · pyridine-2,6-dicarboyl dichloride
Identifikatoren & physikalische Daten
| CAS No. | 3739-94-4 |
|---|---|
| Summenformel | C7H3Cl2NO2 |
| Durchschnittliche Molmasse | 204,01 g/mol |
| Monoisotopische Masse | 202,9540837 g/mol |
| SMILES | O=C(Cl)c1cccc(C(=O)Cl)n1 |
| InChIKey | GWHOGODUVLQCEB-UHFFFAOYSA-N |
| PubChem CID | 77335 |
| EC No. | 223-125-4 |
| DTXSID | DTXSID70958483 |
| Lokaler Name | Pyridin-2,6-dicarbonyldichlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 47 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 56-58 °C (lit.) |
| Siedepunkt | 284 °C (lit.) |
| Dichte | 1.4521 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Flammpunkt | 284°C |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | -2.12±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder, Crystals or Chunks |
| Farbe | White to brown |
| Löslichkeit | Insoluble in water. |
| BRN | 131556 |
| InChI | InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H |
| InChIKey | GWHOGODUVLQCEB-UHFFFAOYSA-N |
| SMILES | C1(C(Cl)=O)=NC(C(Cl)=O)=CC=C1 |
| CAS Datenbank | 3739-94-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Pyridinedicarbony chloride(3739-94-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (97.8%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29333990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25 |
| Gefahrenklasse | 8Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Skin Sens. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Pyridinedicarboxylic acid chloride was used as the reagent during the synthesis of pyridine-based polyamido-polyester optically active macrocycles. It was used as starting reagent during the synthesis of pyridine-bridged 2,6-bis-carboxamide Schiff′s bases. It was used in the synthesis of N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide.