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3,5-Bis(benzyloxy)-α-chlortoluol
3,4-Dibenzyloxybenzyl chloride · 3,4-Bis(benzyloxy)benzyl chloride · 3,4-Dibenzyloxybenzyl chloride,99% · 3,4-DIBENZYLOXYBENZYL CHLORIDE 99% · 3,5-bis(benzyloxy)-?-chlorotoluene · 3,5-bis(benzyloxy)-alpha-chlorotoluene · 4-(Chloromethyl)-1,2-bis(phenylmethoxy)benzene · Benzene, 4-(chloromethyl)-1,2-bis(phenylmethoxy)-
Identifikatoren & physikalische Daten
| CAS No. | 1699-59-8 |
|---|---|
| Summenformel | C21H19ClO2 |
| Durchschnittliche Molmasse | 338,8 g/mol |
| Monoisotopische Masse | 338,10735753 g/mol |
| SMILES | ClCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 |
| InChIKey | DDAGFZBQVSGXJN-UHFFFAOYSA-N |
| PubChem CID | 74339 |
| EC No. | 216-927-0 |
| DTXSID | DTXSID90168769 |
| Lokaler Name | 3,5-Bis(benzyloxy)-α-chlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 337 |
| Schmelzpunkt | 41-43 °C(lit.) |
| Siedepunkt | 455.07°C (rough estimate) |
| Dichte | 1.0887 (rough estimate) |
| Brechungsindex | 1.5330 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| InChI | 1S/C21H19ClO2/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/h1-13H,14-16H2 |
| InChIKey | DDAGFZBQVSGXJN-UHFFFAOYSA-N |
| SMILES | ClCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29093090 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,4-Dibenzyloxybenzyl chloride was used to prepare benzylnitrile precursor, required for the synthesis of amidines.