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2-Amino-1H-imidazol-4,5-dicarbonitril
2-AMINO-4,5-DICYANOIMIDAZOLE · 2-AMINO-4,5-IMIDAZOLEDICARBONITRILE · 2-AMINO-1H-IMIDAZOLE-4,5-DICARBONITRILE · AKOS BBS-00006362 · Aminodicyanoimidazole · LABOTEST-BB LT00080764 · 4,5-DICYANO-2-AMINOIMIDAZOLE · 2-imidazole-4,5-dicarbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 40953-34-2 |
|---|---|
| Summenformel | C5H3N5 |
| Durchschnittliche Molmasse | 133,11 g/mol |
| Monoisotopische Masse | 133,0388451 g/mol |
| SMILES | N#Cc1nc(N)[nH]c1C#N |
| InChIKey | MLOXIXGLIZLPDP-UHFFFAOYSA-N |
| PubChem CID | 170446 |
| EC No. | 255-163-2 |
| DTXSID | DTXSID2068268 |
| Lokaler Name | 2-Amino-1H-imidazol-4,5-dicarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 270 °C (dec.) (lit.) |
| Siedepunkt | 587.3±60.0 °C(Predicted) |
| Dichte | 1.54±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Practically insoluble in water |
| Aggregatzustand | powder to crystalline |
| pKa (Säurekonstante) | 6.19±0.10(Predicted) |
| Farbe | White to Light red to Green |
| InChI | 1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10) |
| InChIKey | MLOXIXGLIZLPDP-UHFFFAOYSA-N |
| SMILES | Nc1nc(C#N)c([nH]1)C#N |
| CAS Datenbank | 40953-34-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Imidazole-4,5-dicarbonitrile, 2-amino- (40953-34-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933.29.9000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-4,5-imidazoledicarbonitrile may be used in the fabrication of an organic electrical bistable device comprising of a thin metal layer embedded within the organic material. It may be used to fabricate the devices with the nominal layer structure of organic/metal-nanocluster/organic interposed between two electrodes by a vacuum evaporation method.