HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Phenylimidazol
2-PHENYL-1H-IMIDAZOLE · 2PZ · 2PI · Curezol 2PZ · 2-Phenylimidzole · 2-Phenylimidazol · 2-PHENYLIMIDAZOLE · 2-Pheny1 imidazole
Identifikatoren & physikalische Daten
| CAS No. | 670-96-2 |
|---|---|
| Summenformel | C9H8N2 |
| Durchschnittliche Molmasse | 144,17 g/mol |
| Monoisotopische Masse | 144,06874826 g/mol |
| SMILES | c1ccc(-c2ncc[nH]2)cc1 |
| InChIKey | ZCUJYXPAKHMBAZ-UHFFFAOYSA-N |
| PubChem CID | 69591 |
| ChEMBL | CHEMBL14189 |
| EC No. | 211-581-7 |
| DTXSID | DTXSID7060968 |
| Lokaler Name | 2-Phenylimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Schmelzpunkt | 142-148 °C (lit.) |
| Siedepunkt | 340 °C |
| Dichte | 0.6 g/cm3 |
| Dampfdruck | 0.009Pa at 20℃ |
| Brechungsindex | 1.6025 (estimate) |
| Flammpunkt | 200 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Solubility in methanol (almost transparency). |
| Aggregatzustand | Powder, Granular or Crystalline Powder |
| pKa (Säurekonstante) | 13.00±0.10(Predicted) |
| Farbe | Light yellow to beige |
| BRN | 114011 |
| InChI | 1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11) |
| InChIKey | ZCUJYXPAKHMBAZ-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)-c2ncc[nH]2 |
| LogP (Verteilungskoeffizient) | 1.29 at 25℃ and pH7.5 |
| CAS Datenbank | 670-96-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Imidazole, 2-phenyl- (670-96-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (5 of 227) of reports.WarningH302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 227 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Imidazole, 2-phenyl-Status: Active Update: 08-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/233132-Phenylimidazole: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (70.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29332990 |
| R-Sätze (R) | 36/37/38-21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Das 2-Phenylazoimidazol bildet orangerote, wasserunlösliche Tafeln. Die Verbindung besitzt nur wissenschaftliches Interesse.
Verwenden
2-Phenylimidazole (2-PI) is used to prepare complex compounds with ruthenium (III) and also as an intermediate for agrochemical, pharmaceutical and specialty products. It also finds its application as a curing agent for epoxy resins and polyurethane.