HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methoxy-1H-benzimidazol
5-METHOXY-1H-BENZIMIDAZOLE · BUTTPARK 146\15-76 · 5-Methoxybenzimidazole · 1H-Benzimidazole,5-meth · Esomeprazole Impurity 106 · 6-methoxy-1H-benzimidazole · 5-Methoxybenzimidazole,97% · 5-Methoxybenzimidazole 97%
Identifikatoren & physikalische Daten
| CAS No. | 4887-80-3 |
|---|---|
| Summenformel | C8H8N2O |
| Durchschnittliche Molmasse | 148,16 g/mol |
| Monoisotopische Masse | 148,06366288 g/mol |
| SMILES | COc1ccc2nc[nH]c2c1 |
| InChIKey | ILMHAGCURJPNRZ-UHFFFAOYSA-N |
| PubChem CID | 78598 |
| ChEMBL | CHEMBL449325 |
| EC No. | 225-502-9 |
| DTXSID | DTXSID60197622 |
| Lokaler Name | 5-Methoxy-1H-benzimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 140 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 121-126 °C (lit.) |
| Siedepunkt | 190-195 °C(Press: 0.03 Torr) |
| Dichte | 1.244±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 13.12±0.10(Predicted) |
| Farbe | Light brown to brown |
| InChI | InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10) |
| InChIKey | ILMHAGCURJPNRZ-UHFFFAOYSA-N |
| SMILES | C1NC2=CC(OC)=CC=C2N=1 |
| CAS Datenbank | 4887-80-3(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 44 reports by companies from 4 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) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Methoxy-1H-benzimidazole has been studied for its anti-proliferative activity, and a preliminary in vivo toxicity study against a panel of non-small cell lung cancer cell lines.