HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tricyclo[3.3.1.13,7]decan-2-on
Adamantanone · ADAMANTAN-2-ONE · 2-ADAMANTONE · 1-Adamantanone · AKOS BC-0654 · 2- adaMantine · 2-ADAMANTANONE · 2-adamandanone
![Molekülstruktur von Tricyclo[3.3.1.13,7]decan-2-on](/img/chemical/64151.png)
Identifikatoren & physikalische Daten
| CAS No. | 700-58-3 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | O=C1C2CC3CC(C2)CC1C3 |
| InChIKey | IYKFYARMMIESOX-UHFFFAOYSA-N |
| PubChem CID | 64151 |
| ChEMBL | CHEMBL2041316 |
| ChEBI | CHEBI:40611 |
| EC No. | 211-847-2 |
| DTXSID | DTXSID9022108 |
| Lokaler Name | Tricyclo[3.3.1.13,7]decan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 177 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Chemical diffusion |
| Schmelzpunkt | 256-258 °C (subl.)(lit.) |
| Siedepunkt | 211.78°C (rough estimate) |
| Dichte | 0.8709 (rough estimate) |
| Brechungsindex | 1.4993 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clear |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| BRN | 1210235 |
| Henry-Konstante | 1.4×100 mol/(m3Pa) at 25℃, Roon et al. (2005) |
| InChI | InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2 |
| InChIKey | IYKFYARMMIESOX-UHFFFAOYSA-N |
| SMILES | C12CC3CC(CC(C3)C1=O)C2 |
| CAS Datenbank | 700-58-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Adamantanone(700-58-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (2 of 8) of reports.DangerH301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Tricyclo3.3.1.13,7decanone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (37.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29142900 |
| RTECS-Nr. | AU5018000 |
| R-Sätze (R) | 52-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Adamantanone was used in the synthesis of dispiro N-Boc-protected 1,2,4-trioxane and (+/-)-1-(adamantan-2-yl)-2-propanamine.