HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Imidazole, 1-(1-methylethyl)-
1-Isopropyl-1H-imidazole · -Isopropylimidazole · 1-Isopropylimidazole · 1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole · 1-(1-methylethyl)-1H-Imidazole · 1H-Imidazole, 1-(1-methylethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 4532-96-1 |
|---|---|
| Summenformel | C6H10N2 |
| Durchschnittliche Molmasse | 110,16 g/mol |
| Monoisotopische Masse | 110,08439833 g/mol |
| SMILES | CC(C)n1ccnc1 |
| InChIKey | IPIORGCOGQZEHO-UHFFFAOYSA-N |
| PubChem CID | 10176113 |
| EC No. | 805-859-2 |
| DTXSID | DTXSID4074645 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 70 |
| Siedepunkt | 104°C/7mmHg(lit.) |
| Dichte | 0.97 |
| Brechungsindex | 1.4800 to 1.4840 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.15±0.20(Predicted) |
| InChI | InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3 |
| InChIKey | IPIORGCOGQZEHO-UHFFFAOYSA-N |
| SMILES | C1N(C(C)C)C=CN=1 |
| CAS Datenbank | 4532-96-1 |
| EPA chemische Informationen | 1H-Imidazole, 1-(1-methylethyl)- (4532-96-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (33.3%): Combustible liquid [Warning Flammable liquids]H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 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. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Flam. Liq. 4 (33.3%)Acute Tox. 4 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (33.3%)Aquatic Chronic 3 (33.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
1-isopropylimidazole (ipim) and 1-phenylimidazole (phim) are derivatives of Antimicrobially inactive imidazole. They could be used for complexation with gold(III) and corresponding complexes [AuCl3(im)], [AuCl3(ipim)] and [AuCl3(phim)] were used as model compounds for the synthesis and structural characterization of analogous gold complexes, [AuCl3(ctz)], [AuCl3(ecz)] [AuCl3(tcz)] and [AuCl3(vcz)], containing clinically used antifungal azoles, clotrimazole (ctz), econazole (ecz), tioconazole (tcz) and voriconazole (vcz)[1].