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Tris(trimethylsilyl)phosphat
Silanol, trimethyl-, phosphate (3:1) · TRIS(TRIMETHYLSILYL) PHOSPHATE · Phosphoric acid, TMS · TRIS(TRIMETHYSILYL)PHOSPHATE · Silanol,trimethyl-,phosphate(3:1) · DK028 · TIMTEC-BB SBB001292 · Phosphoric acid, triTMS
Identifikatoren & physikalische Daten
| CAS No. | 10497-05-9 |
|---|---|
| Summenformel | C9H27O4PSi3 |
| Durchschnittliche Molmasse | 314,54 g/mol |
| Monoisotopische Masse | 314,09547594 g/mol |
| SMILES | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| InChIKey | QJMMCGKXBZVAEI-UHFFFAOYSA-N |
| PubChem CID | 25317 |
| ChEBI | CHEBI:144345 |
| EC No. | 234-028-1 |
| DTXSID | DTXSID60909282 |
| Lokaler Name | Tris(trimethylsilyl)phosphat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 44,8 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 253 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| Schmelzpunkt | 3-4 °C (lit.) |
| Siedepunkt | 228-229 °C/720 mmHg (lit.) |
| Dichte | 0.945 g/mL at 25 °C (lit.) |
| Dampfdruck | 23.3hPa at 20℃ |
| Brechungsindex | n20/D 1.409(lit.) |
| Flammpunkt | 76 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 23-25(at 25℃) |
| Aggregatzustand | liquid |
| Wichte | 0.959 |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | 935.5μg/L at 20℃ |
| BRN | 1794624 |
| InChI | 1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3 |
| InChIKey | QJMMCGKXBZVAEI-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| LogP (Verteilungskoeffizient) | 4.72 at 20℃ |
| CAS Datenbank | 10497-05-9(CAS DataBase Reference) |
| EPA chemische Informationen | Silanol, trimethyl-, phosphate (3:1) (10497-05-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (41.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Tris(trimethylsilyl) phosphate (EC: 234-028-1) |
| Hazard Classes and Categories | Flam. Liq. 2 (41.5%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 2931.90.9010 |
| RTECS-Nr. | TC9700000 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Tris(trimethylsilyl) phosphite (TMSPi) is a film-forming additive for high voltage cathode material in lithium-ion batteries. Tris (trimethylsilyl) phosphate is cleaved by alkali-metal fluorides, nitrates, and acetates at give the trimethylsilyl esters of the corresponding acids.
Herstellung & Synthese
synthetische
Tris(trimethylsilyl)phosphine is prepared by treating trimethylsilyl chloride, white phosphorus, and sodium-potassium alloy: 1/4 P4 + 3 Me3SiCl + 3 K → P(SiMe3)3 + 3 KCl