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Trimethylsilyl-2,2,2-trifluoro-N-(trimethylsilyl)acetimidat
BSTFA · N,O-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE · N,O-BSTFA · Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate · N,O-Bis(Trimethylsilyl) · N,N-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE · N,0-Bis(trimethylsilyl)trifluoroacetamide · N.O-Bis(trimethylsilyl)trifluoro acetamide (BSTFA)
Identifikatoren & physikalische Daten
| CAS No. | 25561-30-2 |
|---|---|
| Summenformel | C8H18F3NOSi2 |
| Durchschnittliche Molmasse | 257,4 g/mol |
| Monoisotopische Masse | 257,08790192 g/mol |
| SMILES | C[Si](C)(C)N=C(O[Si](C)(C)C)C(F)(F)F |
| InChIKey | XCOBLONWWXQEBS-UHFFFAOYSA-N |
| PubChem CID | 94358 |
| EC No. | 247-103-9 |
| DTXSID | DTXSID001015789 |
| Lokaler Name | Trimethylsilyl-2,2,2-trifluoro-N-(trimethylsilyl)acetimidat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 21,6 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 250 |
| Stoffklassen | Metals -> Metalloid Compounds (Silicon) |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -10°C |
| Siedepunkt | 45-50 °C14 mm Hg(lit.) |
| Dichte | 0.97 g/mL(lit.) |
| Brechungsindex | n20/D 1.384(lit.) |
| Flammpunkt | 75 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Miscible with chloroform.hydrolyses |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.82±0.50(Predicted) |
| Wichte | 0.971 |
| Farbe | Colorless to pale yellow |
| BRN | 3607620 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3/b12-7+ |
| InChIKey | XCOBLONWWXQEBS-KPKJPENVSA-N |
| SMILES | C[Si](C)(C)O\C(=N\[Si](C)(C)C)C(F)(F)F |
| CAS Datenbank | 25561-30-2(CAS DataBase Reference) |
| NIST chemische Informationen | Bis(trimethylsilyl)trifluoroacetamide(25561-30-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (56.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, 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 67 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 23-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21964Bis(trimethylsilyl)trifluoroacetamide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Readily hydrolyzesCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (56.7%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | Yes |
| UN-Transportnummer | UN 2924 3/PG 3 |
| Zollcode | 29310095 |
| R-Sätze (R) | 11-34-10-35-14 |
| Gefahrensymbole | C,F,T |
| hazard_note | Flammable/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45-16 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A |
Anwendungen & Verwendung
Verwenden
N,O-Bis(trimethylsilyl)trifluoroacetamide is used for analytical purposes or as a chemical reagent for synthesis of more complex molecules. It is silylation reagent useful in GC and GC-MS for the derivatization of a wide range of functional groups under mild conditions. It is also used as DAT inhibitor and a SLC6A2 inhibitor. It is routinely used to derivatize carboxylic acids, phenols, steroids, amines, alcohols, and alkaloids and amides.