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Dibenzo[b,f]cycloheptan-1-ol
NSC 86157 · Dibenzosuberol · Diabenzosuberol · Dibenzosuberol,97% · DIBENZOSUBEROL 97% · Amitriptyline Impurity-G · Amitriptyline Impurity 1 · Deptropine EP Impurity C
![Molekülstruktur von Dibenzo[b,f]cycloheptan-1-ol](/img/chemical/14588.png)
Identifikatoren & physikalische Daten
| CAS No. | 1210-34-0 |
|---|---|
| Summenformel | C15H14O |
| Durchschnittliche Molmasse | 210,27 g/mol |
| Monoisotopische Masse | 210,10446507 g/mol |
| SMILES | OC1c2ccccc2CCc2ccccc21 |
| InChIKey | POAVRNPUPPJLKZ-UHFFFAOYSA-N |
| PubChem CID | 14588 |
| EC No. | 214-911-8 |
| DTXSID | DTXSID80153104 |
| Lokaler Name | Dibenzo[b,f]cycloheptan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | 90-95 °C |
| Siedepunkt | 166-169 °C (1 mmHg) |
| Dichte | 1.0232 (rough estimate) |
| Brechungsindex | 1.5725 (estimate) |
| Flammpunkt | 166-169°C/1mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 13.56±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| BRN | 520430 |
| Stabilität | Hygroscopic |
| CAS Datenbank | 1210-34-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29062900 |
| RTECS-Nr. | HP1100000 |
| Toxizität | mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02172, |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Dibenzosuberol (Amitriptyline EP Impurity G) is an impurity of Amitriptyline (A633350).