HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile
VENLAFAXINE CYNO IMPURITY · forVenlafaxine · Venlafaxine Cyano · Effexor Impurity 28 · Venlafaxine Impurity 15 · Venlafaxine Impurity 28 · Venlafaxine Cyano Impurity · Intermediate of Venlafaxine
Identifikatoren & physikalische Daten
| CAS No. | 131801-69-9 |
|---|---|
| Summenformel | C15H19NO2 |
| Durchschnittliche Molmasse | 245,32 g/mol |
| Monoisotopische Masse | 245,14157885 g/mol |
| SMILES | COc1ccc(C(C#N)C2(O)CCCCC2)cc1 |
| InChIKey | ASYJSBPNAIDUHX-UHFFFAOYSA-N |
| PubChem CID | 9899621 |
| EC No. | 603-519-6 |
| DTXSID | DTXSID101257342 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 306 |
| Schmelzpunkt | 121-123°C |
| Siedepunkt | 410.1±25.0 °C(Predicted) |
| Dichte | 1.142±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 13.80±0.20(Predicted) |
| Farbe | White to Almost white |
| CAS Datenbank | 93413-76-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (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 | Acute Tox. 4 (100%) |
| Zollcode | 2926.90.4850 |
Anwendungen & Verwendung
Verwenden
An intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine