HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylpyrrol
1-PHENYL-1H-PYRROLE · NSC 16581 · 1-PHENYLPYRROLE · N-Phenylpyrrole · N-Pyrrolobenzene · 1-phenylpyridine · phenyl-1H-pyrrole · Pyrrole, 1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 635-90-5 |
|---|---|
| Summenformel | C10H9N |
| Durchschnittliche Molmasse | 143,18 g/mol |
| Monoisotopische Masse | 143,07349929 g/mol |
| SMILES | c1ccc(-n2cccc2)cc1 |
| InChIKey | GEZGAZKEOUKLBR-UHFFFAOYSA-N |
| PubChem CID | 12480 |
| ChEMBL | CHEMBL84459 |
| ChEBI | CHEBI:234092 |
| EC No. | 211-242-3 |
| DTXSID | DTXSID60212905 |
| Lokaler Name | 1-Phenylpyrrol |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 58-60 °C (lit.) |
| Siedepunkt | 234 °C (lit.) |
| Dichte | 0.97 |
| Brechungsindex | 1.5000 (estimate) |
| Flammpunkt | 95℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -5.30±0.30(Predicted) |
| Farbe | White to Yellow to Orange |
| BRN | 109798 |
| InChI | 1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H |
| InChIKey | GEZGAZKEOUKLBR-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)-n2cccc2 |
| CAS Datenbank | 635-90-5(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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Pyrrole, 1-phenyl- |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Phenylpyrrole was used to study the half-wave potentials of the aqueous redox couples and the oxidation potentials of the monomers in 1,2-dichloroethane.