HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-1H-imidazole
2-Bromoimidazole · mo-1H-imidazole · broMo-1H-iMidazole · 2-BROMO-1H-IMIDAZOLE · 1H-Imidazole, 2-bromo- · Etomidate Impurity 111 · 2-Bromo-1H-imidazole 98% · 1H-Imidazole,2-bromo-(9CI)
Identifikatoren & physikalische Daten
| CAS No. | 16681-56-4 |
|---|---|
| Summenformel | C3H3BrN2 |
| Durchschnittliche Molmasse | 146,97 g/mol |
| Monoisotopische Masse | 145,94796 g/mol |
| SMILES | Brc1ncc[nH]1 |
| InChIKey | AXHRGVJWDJDYPO-UHFFFAOYSA-N |
| PubChem CID | 2773261 |
| ChEMBL | CHEMBL292042 |
| EC No. | 626-352-0 |
| DTXSID | DTXSID40378316 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 48 |
| Schmelzpunkt | 197-202 °C |
| Siedepunkt | 273.1±23.0 °C(Predicted) |
| Dichte | 1.904±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 11.23±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | White to off-white |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6) |
| InChIKey | AXHRGVJWDJDYPO-UHFFFAOYSA-N |
| SMILES | C1(Br)NC=CN=1 |
| CAS Datenbank | 16681-56-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Skin Irrit. 2 (97.6%)Eye Dam. 1 (95.2%)STOT SE 3 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332900 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromoimidazole is used as an organic chemical synthesis intermediate.