HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Benzyloxybenzaldehyd
ASISCHEM N42207 · AKOS BBS-00003155 · 3-Benzyloxybenzaldeh · Ezetimibe Impurity 217 · 3-BENZYLOXYBENZALDEHYDE · M-BENZYLOXYBENZALDEHYDE · Metaraminol Impurity 34 · 3-Benzyloxybenzaldehyde98%
Identifikatoren & physikalische Daten
| CAS No. | 1700-37-4 |
|---|---|
| Summenformel | C14H12O2 |
| Durchschnittliche Molmasse | 212,24 g/mol |
| Monoisotopische Masse | 212,08372962 g/mol |
| SMILES | O=Cc1cccc(OCc2ccccc2)c1 |
| InChIKey | JAICGBJIBWDEIZ-UHFFFAOYSA-N |
| PubChem CID | 74342 |
| ChEMBL | CHEMBL300575 |
| EC No. | 216-932-8 |
| DTXSID | DTXSID30168783 |
| Lokaler Name | 3-Benzyloxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 209 |
| Schmelzpunkt | 56-58 °C(lit.) |
| Siedepunkt | 180°C 0,08mm |
| Dichte | 1.1035 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Flammpunkt | 180°C/0.08mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White to light beige |
| Löslichkeit | Soluble in water 38.87 mg/L @ 25°C. |
| BRN | 1956589 |
| InChI | 1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChIKey | JAICGBJIBWDEIZ-UHFFFAOYSA-N |
| SMILES | O=Cc1cccc(OCc2ccccc2)c1 |
| LogP (Verteilungskoeffizient) | 2.960 (est) |
| CAS Datenbank | 1700-37-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzyl 3-formylphenyl ether(1700-37-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Benzyloxybenzaldehyde is used as a pharmaceutical intermediate. It activates the adenyl cyclase.