HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acetic acid, 2-(trimethylsilyl)-
DK685 · 2-trimethylsilylacetate · TriMethylsilyl)acetic ac · (trimethylsilyl)-aceticaci · (Trimethylsilyl)acetic acid · 2-(TRIMETHYLSILYL)ACETIC ACID · Acetic acid, 2-(trimethylsilyl)- · (Trimethylsilyl)acetic acid, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 2345-38-2 |
|---|---|
| Summenformel | C5H12O2Si |
| Durchschnittliche Molmasse | 132,23 g/mol |
| Monoisotopische Masse | 132,06065616 g/mol |
| SMILES | C[Si](C)(C)CC(=O)O |
| InChIKey | JDMMZVAKMAONFU-UHFFFAOYSA-N |
| PubChem CID | 75366 |
| EC No. | 219-067-4 |
| DTXSID | DTXSID6062335 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 37,3 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 93,1 |
| Schmelzpunkt | 39-42 °C(lit.) |
| Siedepunkt | 90-95°C 10mm |
| Dichte | 0.8830 (estimate) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Sol ethereal solvents. |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 5.23±0.10(Predicted) |
| BRN | 1679394 |
| InChI | 1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7) |
| InChIKey | JDMMZVAKMAONFU-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)CC(O)=O |
| CAS Datenbank | 2345-38-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, (trimethylsilyl)-(2345-38-2) |
| EPA chemische Informationen | Acetic acid, (trimethylsilyl)- (2345-38-2) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3261 |
| RTECS-Nr. | AK0843500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(Trimethylsilyl)acetic acid may be used in chemical synthesis.
Herstellung & Synthese
synthetische
Obtained from the reaction of trimethylsilylmethylmagnesium chloride with carbon dioxide;3 can also be prepared by reaction of acetic acid with 2 equiv of lithium diisopropylamide, followed by chlorotrimethylsilane and hydrolysis.