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1-Chlor-3-(1-naphthyloxy)propan-2-ol
1-Chloro-3-(naphthalen-1-yloxy)propan-2-ol · Propanolol Impurity 1 · Propranolol Impurity 3 · Propranolol Impurity 15 · Propranolol Chloro Impurity · 1-Chloro-3-(1-naphthoxy)-2-propanol · 1-Chloro-3-(1-naphtyloxy)-2-propanol · 1-(1-Naphtyloxy)-3-chloro-2-propanol
Identifikatoren & physikalische Daten
| CAS No. | 20133-93-1 |
|---|---|
| Summenformel | C13H13ClO2 |
| Durchschnittliche Molmasse | 236,69 g/mol |
| Monoisotopische Masse | 236,06040734 g/mol |
| SMILES | OC(CCl)COc1cccc2ccccc12 |
| InChIKey | ZVVJOJMCXYDDEW-UHFFFAOYSA-N |
| PubChem CID | 89276 |
| EC No. | 243-538-3 |
| DTXSID | DTXSID101273366 |
| Lokaler Name | 1-Chlor-3-(1-naphthyloxy)propan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 210 |
| Siedepunkt | 158 °C(Press: 0.1 Torr) |
| Dichte | 1.246±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.07±0.20(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
1-Chloro-3-(1-naphthyloxy)-2-propanol is an intermediates in the synthesis of β-adrenergic blocking agents and antihypertensive drugs such as propranolol and nadoxolol. Also used in the kinetic resolution studies of (±)-1-chloro-3-(1-naphthyloxy)-2-propanol in nonaqueous media using lipase-catalyzed esterification.