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2-Bromtricyclo[3.3.1.13,7]decan
Bromoadamantane · 2-Bromoadmantane · 2-BROMOADAMANTANE · 2-ADAMANTYL BROMIDE · Adamantane, 2-bromo- · 2-Bromoadamantane,98% · 2-Bromoadamantane >2-Bromoadamantane 97.5%Min · 2-BROMOTRICYCLO[3.3.1.1(3.7)]DECANE
![Molekülstruktur von 2-Bromtricyclo[3.3.1.13,7]decan](/img/chemical/79106.png)
Identifikatoren & physikalische Daten
| CAS No. | 7314-85-4 |
|---|---|
| Summenformel | C10H15Br |
| Durchschnittliche Molmasse | 215,13 g/mol |
| Monoisotopische Masse | 214,03571258 g/mol |
| SMILES | BrC12CC3CC(CC(C3)C1)C2 |
| InChIKey | VQHPRVYDKRESCL-UHFFFAOYSA-N |
| PubChem CID | 79106 |
| ChEMBL | CHEMBL4298179 |
| EC No. | 212-200-7 |
| DTXSID | DTXSID50880632 |
| Lokaler Name | 2-Bromtricyclo[3.3.1.13,7]decan |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 138-140 °C(lit.) |
| Siedepunkt | 248.79°C (rough estimate) |
| Dichte | 1.2686 (rough estimate) |
| Brechungsindex | 1.6411 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to lump |
| Farbe | White to Almost white |
| BRN | 4655839 |
| InChI | 1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2/t6-,7+,8-,9+,10 |
| InChIKey | RCXJARRRXOPXBC-MGPGSJOLSA-N |
| SMILES | BrC1[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3 |
| CAS Datenbank | 7314-85-4(CAS DataBase Reference) |
| NIST chemische Informationen | Tricyclo[3.3.1.13,7]decane, 2-bromo-(7314-85-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20354 |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Adamantane. |
| Hazard Classes and Categories | Skin Irrit. 2 (40%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29038900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Bromoadamantane was used to study the c-alkylation of phenol.