HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxybenzimidazol
1H-BENZO[D]IMIDAZOL-2(3H)-ONE · 1,3-dihydro-2H-benzo[d]imidazol-2-one · 1H-benzo[d]iMidazol-2-ol · 2H-Benzimidazol-2-one, 1,3-dihydro- · 1H-BENZIMIDAZOL-2-OL · 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE · 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE · 2-BENZIMIDAZOLOL
Identifikatoren & physikalische Daten
| CAS No. | 615-16-7 |
|---|---|
| Summenformel | C7H6N2O |
| Durchschnittliche Molmasse | 134,14 g/mol |
| Monoisotopische Masse | 134,04801281 g/mol |
| SMILES | O=c1[nH]c2ccccc2[nH]1 |
| InChIKey | SILNNFMWIMZVEQ-UHFFFAOYSA-N |
| PubChem CID | 11985 |
| ChEMBL | CHEMBL2152713 |
| EC No. | 210-412-4 |
| DTXSID | DTXSID0060642 |
| Lokaler Name | 2-Hydroxybenzimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 142 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 1.12 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 247.23°C (rough estimate) |
| Dichte | 1.2296 (rough estimate) |
| Brechungsindex | 1.5880 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 0.543g/linsoluble |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 11.95±0.10(Predicted) |
| Farbe | Off-white to pale brown |
| BRN | 119866 |
| InChI | 1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10) |
| InChIKey | SILNNFMWIMZVEQ-UHFFFAOYSA-N |
| SMILES | O=C1Nc2ccccc2N1 |
| LogP (Verteilungskoeffizient) | 1.17 at 23℃ and pH6.2-6.4 |
| CAS Datenbank | 615-16-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2H-Benzimidazol-2-one, 1,3-dihydro-(615-16-7) |
| EPA chemische Informationen | 2H-Benzimidazol-2-one, 1,3-dihydro- (615-16-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1876 |
| Hazard Classes and Categories | Acute Tox. 4 (99.1%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339990 |
| RTECS-Nr. | DE1625000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 scu-mus: 620 mg/kg ARZNAD 8,42,58 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Hydroxybenzimidazole (Lansoprazole EP Impurity D(Rabeprazole EP Impurity K)) is a metabolite of the neuroleptic Droperidol (D679500).