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Dibenzylhydrogenphosphat
dibenzyl hydrogen phosphate · SKL257 · DIBENZYL PHOSPHATE · DibenzylPhosphate>Dibenzyl phosphate,98% · Dibenzyl phosphate 99% · Dibenzylphosphoric acid · Dibenzyl phosphate, 97% · Fosaprepitant Impurity N
Identifikatoren & physikalische Daten
| CAS No. | 1623-08-1 |
|---|---|
| Summenformel | C14H15O4P |
| Durchschnittliche Molmasse | 278,24 g/mol |
| Monoisotopische Masse | 278,07079559 g/mol |
| SMILES | O=P(O)(OCc1ccccc1)OCc1ccccc1 |
| InChIKey | HDFFVHSMHLDSLO-UHFFFAOYSA-N |
| PubChem CID | 74189 |
| ChEMBL | CHEMBL1576902 |
| ChEBI | CHEBI:166472 |
| EC No. | 216-602-3 |
| DTXSID | DTXSID1033402 |
| Lokaler Name | Dibenzylhydrogenphosphat |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 270 |
| Schmelzpunkt | 78-80 °C (lit.) |
| Siedepunkt | 427.6±48.0 °C(Predicted) |
| Dichte | 1.280±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.53±0.50(Predicted) |
| Farbe | White to slightly yellow |
| BRN | 2055755 |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16) |
| InChIKey | HDFFVHSMHLDSLO-UHFFFAOYSA-N |
| SMILES | P(O)(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)=O |
| CAS Datenbank | 1623-08-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.DangerH315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - Hazard Trait UndefinedStatus: Cease Manufacture Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19980 |
| Hazard Classes and Categories | Skin Irrit. 2 (60%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29199000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Dibenzyl phosphate (DBzP) can be used: To promote the monoselective ortho-C-H alkylation of N-quinolyl benzamides with primary and secondary alkyl iodides. For the ring-opening reaction of epoxide such as benzylglycidol to synthesize dihydroxyacetone phosphate (DHAP). As a reactant for the synthesis of stereospecific 1,2-trans glycosyl phosphates.