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1-Chlortricyclo[3.3.1.13,7]decan
1-chloroadamanane · 1-CHLOROADAMANTANE · Adamantyl chloride · 3-Chloroadamantane · RARECHEM AQ TC 1018 · 1-ADAMANTYL CHLORIDE · 1-Chloroadamantane 98% · LABOTEST-BB LT00033850
![Molekülstruktur von 1-Chlortricyclo[3.3.1.13,7]decan](/img/chemical/64154.png)
Identifikatoren & physikalische Daten
| CAS No. | 935-56-8 |
|---|---|
| Summenformel | C10H15Cl |
| Durchschnittliche Molmasse | 170,68 g/mol |
| Monoisotopische Masse | 170,08622816 g/mol |
| SMILES | ClC12CC3CC(CC(C3)C1)C2 |
| InChIKey | OZNXTQSXSHODFR-UHFFFAOYSA-N |
| PubChem CID | 64154 |
| EC No. | 213-305-0 |
| DTXSID | DTXSID1061318 |
| Lokaler Name | 1-Chlortricyclo[3.3.1.13,7]decan |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| 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 | Dunham energy parameter |
| Schmelzpunkt | 165-166 °C(lit.) |
| Siedepunkt | 211.58°C (rough estimate) |
| Dichte | 1.0492 (rough estimate) |
| Brechungsindex | 1.6012 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO, Methanol (Slightly)Poorly soluble in water. Soluble in hydrocarbons. But readily soluble in nonpolar organic solvents. |
| Aggregatzustand | Crystalline |
| Farbe | Off-White |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2 |
| InChIKey | OZNXTQSXSHODFR-UHFFFAOYSA-N |
| SMILES | C12(Cl)CC3CC(CC(C3)C1)C2 |
| CAS Datenbank | 935-56-8(CAS DataBase Reference) |
| NIST chemische Informationen | Adamantane, 1-chloro-(935-56-8) |
| EPA chemische Informationen | Tricyclo[3.3.1.13,7]decane, 1-chloro- (935-56-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29035980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Chloroadamantane, an adamantane derivative shown to exhibit virucidal activity against the Newcastle disease virus in chick embryo fibroblasts. (Adamantane EP Impurity A)