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1,3-Bis(trimethylsilyl)harnstoff
BSU · Urea, TMS · Hexamethyldisilurea · Hexamethyldisiluron · Hexamethyl disilaurea · BIS(TRIMETHYLSILYL)UREA · 1,3-Bis(trimethylsilyl) · Hexamethyldisilazaneurea
Identifikatoren & physikalische Daten
| CAS No. | 18297-63-7 |
|---|---|
| Summenformel | C7H20N2OSi2 |
| Durchschnittliche Molmasse | 204,42 g/mol |
| Monoisotopische Masse | 204,11141632 g/mol |
| SMILES | C[Si](C)(C)NC(=O)N[Si](C)(C)C |
| InChIKey | MASDFXZJIDNRTR-UHFFFAOYSA-N |
| PubChem CID | 87562 |
| EC No. | 242-177-9 |
| DTXSID | DTXSID7066358 |
| Lokaler Name | 1,3-Bis(trimethylsilyl)harnstoff |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 41,1 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 151 |
| Stoffklassen | Metals -> Metalloid Compounds (Silicon) |
| Physical Description | Solid[IUCLID] White or yellow solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 219-221 °C(lit.) |
| Siedepunkt | 222°C |
| Dichte | 0.887 |
| Dampfdruck | 0.002-1850Pa at 25℃ |
| Flammpunkt | 65°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | pyridine: soluble100mg/mL, clear to slightly hazy, colorless to light yellowReacts with water. |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 16.51±0.46(Predicted) |
| Farbe | White to Almost white |
| BRN | 1937452 |
| InChI | 1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10) |
| InChIKey | MASDFXZJIDNRTR-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)NC(=O)N[Si](C)(C)C |
| LogP (Verteilungskoeffizient) | -2.11-2.72 at 20℃ |
| CAS Datenbank | 18297-63-7(CAS DataBase Reference) |
| NIST chemische Informationen | Urea, n,n'-bis(trimethylsilyl)-(18297-63-7) |
| EPA chemische Informationen | N,N'-Bis(trimethylsilyl)urea (18297-63-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (91.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Urea, N,N'-bis(trimethylsilyl)-Status: Active Update: 16-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32791Urea, N,N'-bis(trimethylsilyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Highly flammableSlowly decomposed by moist airNo mortality observed in lethal-concentration studies of rats at the highest achievable concentration[IUCLID] Reacts with waterAn irritant[Alfa Aesar MSDS] See Urea. |
| Hazard Classes and Categories | Flam. Sol. 1 (91.1%) |
| Toxicity Data | LC50 (rat) > 2,200 mg/m3/4hr |
| F | 3-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29310095 |
| R-Sätze (R) | 11-36/37/38-20/21/22 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 14-16-24/25-36-26 |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
| Gefahrenklasse | Flam. Sol. 1 |
Anwendungen & Verwendung
Verwenden
N,N'-Bis(trimethylsilyl)urea is used as a reagent for the silylation of alcohols and carboxylic acids.