HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(Benzyloxy)benzaldehyde
CCY1a · AKOS AU36-M26 · ASISCHEM N43068 · 2-Benzyloxybenzaldeh · OTAVA-BB BB7018801948 · 2-BENZYLOXYBENZALDEHYDE · 2-BENZYLOXY BEZALDEHYDE · O-(BENZYLOXY)BENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 5896-17-3 |
|---|---|
| Summenformel | C14H12O2 |
| Durchschnittliche Molmasse | 212,24 g/mol |
| Monoisotopische Masse | 212,08372962 g/mol |
| SMILES | O=Cc1ccccc1OCc1ccccc1 |
| InChIKey | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
| PubChem CID | 344784 |
| ChEMBL | CHEMBL61500 |
| EC No. | 611-766-6 |
| DTXSID | DTXSID30322707 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| 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 | 46-47°C |
| Siedepunkt | 326 °C (lit.) |
| Dichte | 1.339 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.6(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Liquid |
| Wichte | 1.339 |
| Farbe | Colorless to yellow |
| BRN | 780307 |
| InChI | InChI=1S/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2 |
| InChIKey | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=CC=C1OCC1=CC=CC=C1 |
| CAS Datenbank | 5896-17-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124990 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Benzyloxybenzaldehyde is used as an organic chemical synthesis intermediate.