HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxyimidazole
1,3-dihydro-2h-imidazol-2-one · 1H-imidazol-2(3H)-one · 2,3-dihydro-1H-imidazol-2-one · sd8591 · FS005032 · AI3-27439 · NSC111046 · ent-27439
Identifikatoren & physikalische Daten
| CAS No. | 5918-93-4 |
|---|---|
| Summenformel | C3H4N2O |
| Durchschnittliche Molmasse | 84,08 g/mol |
| Monoisotopische Masse | 84,03236275 g/mol |
| SMILES | O=c1[nH]cc[nH]1 |
| InChIKey | AICIYIDUYNFPRY-UHFFFAOYSA-N |
| PubChem CID | 22208 |
| ChEBI | CHEBI:51022 |
| EC No. | 852-506-3 |
| DTXSID | DTXSID40207910 |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 87 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 240-243 °C |
| Dichte | 1.191±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 12.20±0.70(Predicted) |
| InChI | InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6) |
| InChIKey | AICIYIDUYNFPRY-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=CN1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2933299090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Repr. 1BSkin Corr. 1C |
Anwendungen & Verwendung
Verwenden
1,3-Dihydroimidazol-2-one is used as a reagent in the synthesis of a series of hydantoins (H675000), triazolones, and imidazolones as non-hydroxamate tumor necrosis factor-α converting enzyme (TACE) inhibitors.