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10,11-Dihydro-5H-dibenzo[a,d]cyclohepten
NSC 86156 · DIBENZOSUBERANE · Dibenzosuberane 98% · dibenzocycloheptadiene · 2,3:6,7-Dibenzosuberan · 1,2:4,5-Dibenzocycloheptane · Dibenzo[a,d][1,4]cycloheptadiene · 10,11-Dihydro-5H-dibenzo[a,d]cycloh
![Molekülstruktur von 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten](/img/chemical/70029.png)
Identifikatoren & physikalische Daten
| CAS No. | 833-48-7 |
|---|---|
| Summenformel | C15H14 |
| Durchschnittliche Molmasse | 194,27 g/mol |
| Monoisotopische Masse | 194,10955045 g/mol |
| SMILES | c1ccc2c(c1)CCc1ccccc1C2 |
| InChIKey | PJQCANLCUDUPRF-UHFFFAOYSA-N |
| PubChem CID | 70029 |
| ChEMBL | CHEMBL564180 |
| EC No. | 212-630-5 |
| DTXSID | DTXSID10232254 |
| Lokaler Name | 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 186 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| Physical Description | Off-white crystals[Acros Organics MSDS] |
| Schmelzpunkt | 74-76 °C(lit.) |
| Siedepunkt | 160-165 °C2 mm Hg(lit.) |
| Dichte | 1.0412 (estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChI | 1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2 |
| InChIKey | PJQCANLCUDUPRF-UHFFFAOYSA-N |
| SMILES | C1Cc2ccccc2Cc3ccccc13 |
Sicherheit & Vorschriften
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
10,11-DIHYDRO-5 H-DIBENZO[A,D]CYCLOHEPTENE is used as the base structure of various tricyclic antidepressants. Studies suggest that Dibenzosuberane and its analogues may have anti-viral properties.