HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitroamino-2-imidazoline
N-NITROIMINO IMIDAZOLIDINE · N-Nitroimidazolidin-2-imine · Selonsertib Impurity 1 · 2-Nitroaminoimidazoline · Imidacloprid Impurity 8 · 2-Nitroamino-2-imidazoline · Imidacloprid EP Impurity B · 2-(NITROIMINO)IMIDAZOLIDINE
Identifikatoren & physikalische Daten
| CAS No. | 5465-96-3 |
|---|---|
| Summenformel | C3H6N4O2 |
| Durchschnittliche Molmasse | 130,11 g/mol |
| Monoisotopische Masse | 130,04907543 g/mol |
| SMILES | O=[N+]([O-])NC1=NCCN1 |
| InChIKey | DJZWNSRUEJSEEB-UHFFFAOYSA-N |
| PubChem CID | 410042 |
| EC No. | 611-182-1 |
| DTXSID | DTXSID40328417 |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 82,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 220 °C |
| Siedepunkt | 255.1±23.0 °C(Predicted) |
| Dichte | 1.81±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Amber Vial, Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.55±0.20(Predicted) |
| Farbe | Pale Yellow |
| InChI | InChI=1S/C3H6N4O2/c8-7(9)6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6) |
| InChIKey | DJZWNSRUEJSEEB-UHFFFAOYSA-N |
| SMILES | C1(N[N+]([O-])=O)NCCN=1 |
| CAS Datenbank | 5465-96-3(CAS DataBase Reference) |
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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933.29.9000 |
Anwendungen & Verwendung
Verwenden
2-Nitroamino-2-imidazoline is a neonicotinoid substituents that forms water bridge at nicotinic acetylcholine receptor.