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Methyl-2,2,2-trichloracetimidat
Methyl trichloroacetimidate · Methyl 2,2,2-trichloroethanimidate · Methyl 2,2,2-trichloroacetimidate · Methyl 2,2,2-Trichlorozcetimidate · Methyle2, 2, 2-trichloroacetimidate · Methyl 2,2,2-trichloroacetimidate,98% · Trichloroacetimidic acid methyl ester · Methyl 2,2,2-trichloroacetimidate 98%
Identifikatoren & physikalische Daten
| CAS No. | 2533-69-9 |
|---|---|
| Summenformel | C3H4Cl3NO |
| Durchschnittliche Molmasse | 176,42 g/mol |
| Monoisotopische Masse | 174,93584679 g/mol |
| SMILES | COC(=N)C(Cl)(Cl)Cl |
| InChIKey | OGBINJLTBZWRRB-UHFFFAOYSA-N |
| PubChem CID | 100479 |
| EC No. | 219-796-8 |
| DTXSID | DTXSID501236770 |
| Lokaler Name | Methyl-2,2,2-trichloracetimidat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 97,2 |
| Schmelzpunkt | -30 °C |
| Siedepunkt | 148-149 °C (lit.) |
| Dichte | 1.425 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.478(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 2.22±0.70(Predicted) |
| Wichte | 1.425 |
| Farbe | Clear colorless to pale yellow |
| InChI | InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3 |
| InChIKey | OGBINJLTBZWRRB-UHFFFAOYSA-N |
| SMILES | C(=N)(OC)C(Cl)(Cl)Cl |
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29252900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl 2,2,2-trichloroacetimidate was used as starting material during the synthesis of novel bibenzimidazole oligomers and polymers. It was employed as reagent during the synthesis of 2,2′-bisbenzimidazole-5,5′-dicarboxylic acid.