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Tris(tetrabutylammonium) hydrogen pyrophosphate
PYROPHOSPHORIC ACID TRIS(TETRABUTYLAMMONIUM) SALT · tris(tetrabutylazanium) · TETRABUTYLAMMONIUM PYROPHOSPHATE (3:1) · Tris(tetra-N-butylammonium)diphosphate · Tris(tetrabutylammonium) pyrophosphate · Tetrabutylammonium Hydrogendiphosphate · Tri (tetrabutylammonium) hydrogen pyrophosphate · TRIS(TETRABUTYLAMMONIUM) HYDROGEN PYROPHOSPHATE
Identifikatoren & physikalische Daten
| CAS No. | 76947-02-9 |
|---|---|
| Summenformel | C48H109N3O7P2 |
| Durchschnittliche Molmasse | 902,3 g/mol |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])O |
| InChIKey | BMTUFQKYWWLCLC-UHFFFAOYSA-K |
| PubChem CID | 11115639 |
| EC No. | 629-331-4 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 133 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 37 |
| Schwere Atome | 60 |
| Formalladung | 0 |
| Komplexität | 270 |
| Schmelzpunkt | 145 - 148°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Light Yellow |
| BRN | 4632762 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C16H36N.H4O7P2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-41-8(2,3)7-9(4,5)6/h5-16H2,1-4H3(H2,1,2,3)(H2,4,5,6)/q+1/p-3 |
| InChIKey | BMTUFQKYWWLCLC-UHFFFAOYSA-K |
| SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.O(P(O)([O-])=O)P([O-])([O-])=O |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters
Verwenden
Phosphorylating reagent.