HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Trimethylsilylisocyanat
ISOCYANATOTRIMETHYLSILANE · trimethylsilanylisocyanate · DK481 · DKSI142 · DKFELEX0110 · Trimethylisocyanatosilane · TRIMETHYLSILYL ISOCYANATE · isocyanatotrimethyl-silan
Identifikatoren & physikalische Daten
| CAS No. | 1118-02-1 |
|---|---|
| Summenformel | C4H9NOSi |
| Durchschnittliche Molmasse | 115,21 g/mol |
| Monoisotopische Masse | 115,04534044 g/mol |
| SMILES | C[Si](C)(C)N=C=O |
| InChIKey | NIZHERJWXFHGGU-UHFFFAOYSA-N |
| PubChem CID | 70696 |
| EC No. | 214-256-8 |
| DTXSID | DTXSID3061504 |
| Lokaler Name | Trimethylsilylisocyanat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 29,4 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 98,7 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| Schmelzpunkt | -49°C |
| Siedepunkt | 90-92 °C(lit.) |
| Dichte | 0.851 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.396(lit.) |
| Flammpunkt | -2 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Miscible with ethers and o-dichlorobenzene. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.867 |
| BRN | 1744962 |
| InChI | 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3 |
| InChIKey | NIZHERJWXFHGGU-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)N=C=O |
| CAS Datenbank | 1118-02-1(CAS DataBase Reference) |
| EPA chemische Informationen | Isocyanatotrimethylsilane (1118-02-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2478 3/PG 2 |
| Zollcode | 29319090 |
| R-Sätze (R) | 11-23-36/37-42 |
| Gefahrensymbole | F,T |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Trimethylsilyl isocyanate is used in the preparation of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones. It finds application in the carbamoylation of aromatic hydrocarbons and alcohols. It is also used in the preparation of primary amides from Grignard reagents. Further, it is used in the synthesis of cyclic imides. It is also utilized for the synthesis of trifluoroacetyl isocyanate and cyclic imides. In addition to this, it is employed in the conversion of isocyanates to carbodiimides using cyclopentadienyl Mn(CO)3 catalysis.