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(Trimethylsilyl)acetonitril
2-(Trimethylsilyl)acetonitrile · TMSAN · 2-(Trimethy · Einecs 242-169-5 · TRIMETHYLSILYACETONITRILE · (TRIMETHYLSILYL)ACETONITRILE · 2-Trimethylsilylacetonitrile · (CYANOMETHYL)TRIMETHYLSILANE
Identifikatoren & physikalische Daten
| CAS No. | 18293-53-3 |
|---|---|
| Summenformel | C5H11NSi |
| Durchschnittliche Molmasse | 113,23 g/mol |
| Monoisotopische Masse | 113,06607588 g/mol |
| SMILES | C[Si](C)(C)CC#N |
| InChIKey | WJKMUGYQMMXILX-UHFFFAOYSA-N |
| PubChem CID | 87557 |
| EC No. | 242-169-5 |
| DTXSID | DTXSID60171361 |
| Lokaler Name | (Trimethylsilyl)acetonitril |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 23,8 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 92,4 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 65-70 °C20 mm Hg(lit.) |
| Dichte | 0.827 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.420(lit.) |
| Flammpunkt | 122 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Sol most common organic solvents. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to straw |
| Wichte | 0.829 |
| BRN | 1738845 |
| InChI | InChI=1S/C5H11NSi/c1-7(2,3)5-4-6/h5H2,1-3H3 |
| InChIKey | WJKMUGYQMMXILX-UHFFFAOYSA-N |
| SMILES | C(#N)C[Si](C)(C)C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acetonitrile, (trimethylsilyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29310099 |
| R-Sätze (R) | 10-23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 3.2Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
(Trimethylsilyl)acetonitrile has been used in catalytic cyanomethylation of various carbonyl compounds in the presence of Lewis bases.
Herstellung & Synthese
synthetische
From chlorotrimethylsilane, zinc, and XCH2CN, (X = Cl, 61% yield; X = Br, 81% yield).