HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(1H-imidazol-2-yl)pyridine
2-(2-Pyridyl)imidazole · DK7401 · 2-(2′-Pyridyl)imidazole · 2-(2-Imidazolyl)pyridine · 2-(Pyridin-2-yl)imidazole · 2-(Pyridyl-2-yl)imidazole · 2-(Imidazol-2-yl)pyridine · 2-(imidazole-2-yl)pyridine
Identifikatoren & physikalische Daten
| CAS No. | 18653-75-3 |
|---|---|
| Summenformel | C8H7N3 |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,06399722 g/mol |
| SMILES | c1ccc(-c2ncc[nH]2)nc1 |
| InChIKey | SZXUTTGMFUSMCE-UHFFFAOYSA-N |
| PubChem CID | 589313 |
| ChEMBL | CHEMBL137663 |
| EC No. | 695-587-9 |
| DTXSID | DTXSID00343363 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 135-140°C |
| Siedepunkt | 382.8±15.0 °C(Predicted) |
| Dichte | 1.214±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| pKa (Säurekonstante) | pK1:8.98(+1) (25°C,μ=0.005) |
| Aggregatzustand | solid |
| Farbe | Light brown to yellow |
| InChI | InChI=1S/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11) |
| InChIKey | SZXUTTGMFUSMCE-UHFFFAOYSA-N |
| SMILES | C1(C2NC=CN=2)=NC=CC=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-(2-Pyridyl)imidazole is a useful reagent in substitution reaction with bromobenzene.