HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Bis(2-amino-1H-imidazol)sulfat
2-AMINOIMIDAZOLE SULFATE · e hemisuL · 2-AminoimidazoL · TIMTEC-BB SBB001015 · hemi(sulfuric acid) · 2-Aminoimidazole sul · 2-IMIDAZOLEAMINE SULFATE · 2-AMINOIMIDAZOLE SULPHATE
Identifikatoren & physikalische Daten
| CAS No. | 1450-93-7 |
|---|---|
| Summenformel | C3H7N3O4S |
| Durchschnittliche Molmasse | 181,17 g/mol |
| Monoisotopische Masse | 181,0157267 g/mol |
| SMILES | Nc1ncc[nH]1.O=S(=O)(O)O |
| InChIKey | LEUJVEZIEALICS-UHFFFAOYSA-N |
| PubChem CID | 135136 |
| ChEMBL | CHEMBL2392115 |
| EC No. | 215-918-9 |
| DTXSID | DTXSID10932469 |
| Lokaler Name | Bis(2-amino-1H-imidazol)sulfat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 138 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 270 °C (dec.) (lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Water (Sparingly) |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | Pale brown to brown |
| BRN | 4726750 |
| InChI | InChI=1S/2C3H5N3.H2O4S/c2*4-3-5-1-2-6-31-5(2,3)4/h2*1-2H,(H3,4,5,6)(H2,1,2,3,4) |
| InChIKey | KUWRLKJYNASPQZ-UHFFFAOYSA-N |
| SMILES | S(O)(O)(=O)=O.C1(N)=NC=CN1.C1(N)=NC=CN1 |
| CAS Datenbank | 1450-93-7(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 50 reports by companies from 9 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 | 29332990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT, KEEP COLDEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Aminoimidazole sulfate was used in the synthesis of chlorohydrin.