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3,4-Bis(benzyloxy)benzaldehyd
3,4-BIS(BENZYLOXY)BENZALDEHYDE · NSC 16747 · 3,4-Dibenzyloxybenza · 4-Dibenzyloxybenzaldehyde · 3,4-benzyloxy benzaldehyde · 3,4-Dibenzyloxybenzaldhyde · 4,5-DIBENZYLOXYBENZALDEHYDE · 3,4-DIBENZYLOXYBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 5447-02-9 |
|---|---|
| Summenformel | C21H18O3 |
| Durchschnittliche Molmasse | 318,4 g/mol |
| Monoisotopische Masse | 318,12559443 g/mol |
| SMILES | O=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 |
| InChIKey | XDDLXZHBWVFPRG-UHFFFAOYSA-N |
| PubChem CID | 79526 |
| EC No. | 226-662-2 |
| DTXSID | DTXSID10202871 |
| Lokaler Name | 3,4-Bis(benzyloxy)benzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 358 |
| Schmelzpunkt | 91-94 °C (dec.) (lit.) |
| Siedepunkt | 492.4±35.0 °C(Predicted) |
| Dichte | 1.176±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Powder |
| Farbe | White to yellow |
| BRN | 1132811 |
| InChI | InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2 |
| InChIKey | XDDLXZHBWVFPRG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1 |
| CAS Datenbank | 5447-02-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.WarningH341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 6 of 7 reports by companies.There is 1 notification provided by 1 of 7 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31323 |
| Hazard Classes and Categories | Muta. 2 (14.3%)Aquatic Chronic 1 (14.3%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29125000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4-Dibenzyloxybenzaldehyde (cas# 5447-02-9) is a compound useful in organic synthesis.