HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Benzyloxybenzylchlorid
(4-(BENZYLOXY)PHENYL)METHANOL · ZERENEX E/4047913 · RARECHEM AL BD 0087 · P-BENZYLOXYBENZYL ALCOHOL · 4-Benzyloxybenzyl alcohol · p-benzyloxybenzyl chloride · 4-(Benzyloxy)benzenemethanol · P-BENZYLOXYBENZYL ALCOHOL 99%
Identifikatoren & physikalische Daten
| CAS No. | 836-43-1 |
|---|---|
| Summenformel | C14H14O2 |
| Durchschnittliche Molmasse | 214,26 g/mol |
| Monoisotopische Masse | 214,09937969 g/mol |
| SMILES | OCc1ccc(OCc2ccccc2)cc1 |
| InChIKey | OEBIVOHKFYSBPE-UHFFFAOYSA-N |
| PubChem CID | 70043 |
| ChEMBL | CHEMBL3278094 |
| ChEBI | CHEBI:29486 |
| EC No. | 212-649-9 |
| DTXSID | DTXSID50232450 |
| Lokaler Name | p-Benzyloxybenzylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 179 |
| Schmelzpunkt | 86-87 °C(lit.) |
| Siedepunkt | 314.4°C (rough estimate) |
| Dichte | 1.0781 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Methanol |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 14.52±0.10(Predicted) |
| Farbe | Off-white |
| BRN | 1877819 |
| InChI | InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2 |
| InChIKey | OEBIVOHKFYSBPE-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=C(OCC2=CC=CC=C2)C=C1 |
| CAS Datenbank | 836-43-1(CAS DataBase Reference) |
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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/38-36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Benzyloxybenzyl alcohol was used in the synthesis of:13C-labelled derivatives of the isoflavonoid phytoestrogens, genistein, biochanin A, daidzein and formononetinbenzyl4-(tert-butyldiphenylsiloxy-M1-carbamoyloxymethyl)phenylether