HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Iodoadamantane
(3s,5s,7s)-1-iodoadamantane · NSC 169440 · 1-IODOADAMANTANE · Adamantyl iodide · 1-Adamantyl iodide · RARECHEM AQ TC 1020 · Adamantane, 1-iodo- · IFLAB-BB F0701-0078
Identifikatoren & physikalische Daten
| CAS No. | 768-93-4 |
|---|---|
| Summenformel | C10H15I |
| Durchschnittliche Molmasse | 262,13 g/mol |
| Monoisotopische Masse | 262,02184848 g/mol |
| SMILES | IC12CC3CC(CC(C3)C1)C2 |
| InChIKey | PXVOATXCSSPUEM-UHFFFAOYSA-N |
| PubChem CID | 136609 |
| DTXSID | DTXSID00227619 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 75-76 °C(lit.) |
| Siedepunkt | 265.7±9.0℃ (760 Torr) |
| Dichte | 1.63±0.1 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.6610 (estimate) |
| Flammpunkt | 115.9±13.1℃ |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | DMSO: 52 mg/mL (198.37 mM) |
| Aggregatzustand | solid |
| Stabilität | Stable, but light and moisture sensitive. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2 |
| InChIKey | PXVOATXCSSPUEM-UHFFFAOYSA-N |
| SMILES | C12(I)CC3CC(CC(C3)C1)C2 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Iodoadamantane is suitable reagent used to evaluate the rate constants for the reduction of haloadamantanes by SmI2 in presence of hexamethylphosphoramide (HMPA) and H2O by GC/MS-analyzed method. It may be used as iodine atom donor for probing the intermediacy of radical to investigate the chemistry of highly reactive, strained systems such as propellane. It may be used as starting reagent in the synthesis of N-(1-adamantyl)acetamide via nucleophilic substitution. It may be employed in the free-radical carbonylation reactions with alkenes.