HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methyl-1H-benzo[d]imidazol-5-ol
1-Methyl-1H-benzo[d]iMidazol-5-ol · 1-Methylbenzimidazol-5-ol · 1H-Benzimidazol-5-ol, 1-methyl- · 1H-Benzimidazol-5-ol,1-methyl-(9CI)
![Molekülstruktur von 1-Methyl-1H-benzo[d]imidazol-5-ol](/img/chemical/840445.png)
Identifikatoren & physikalische Daten
| CAS No. | 50591-22-5 |
|---|---|
| Summenformel | C8H8N2O |
| Durchschnittliche Molmasse | 148,16 g/mol |
| Monoisotopische Masse | 148,06366288 g/mol |
| SMILES | Cn1cnc2cc(O)ccc21 |
| InChIKey | NDDDURSMVVKBTL-UHFFFAOYSA-N |
| PubChem CID | 840445 |
| EC No. | 825-554-8 |
| DTXSID | DTXSID80357029 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| Siedepunkt | 337.7±34.0 °C(Predicted) |
| Dichte | 1.27±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 8.90±0.40(Predicted) |
| InChI | InChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3 |
| InChIKey | NDDDURSMVVKBTL-UHFFFAOYSA-N |
| SMILES | C1N(C)C2=CC=C(O)C=C2N=1 |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
1-methyl-1H-benzimidazol-5-ol is a useful reactant for the preparation of substituted azaquinazolinones as modulators of GHSr-1a for the treatment of type II diabetes and obesity