HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylpyrrolidin
N-PHENYLPYRROLIDINE · 1-Phenylpyrolidine · 1-PHENYLPYRROLIDINE · 1-PHENYLPYRRORIDINE · Pyrrolidine, 1-phenyl- · 1-PHENYL-PYRROLIDIN-3-OL · 1-PHENYLPYRROLIDINE, 98+% · 1-Phenylpyrrolidine USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 4096-21-3 |
|---|---|
| Summenformel | C10H13N |
| Durchschnittliche Molmasse | 147,22 g/mol |
| Monoisotopische Masse | 147,10479942 g/mol |
| SMILES | c1ccc(N2CCCC2)cc1 |
| InChIKey | VDQQJMHXZCMNMU-UHFFFAOYSA-N |
| PubChem CID | 77726 |
| ChEMBL | CHEMBL4469084 |
| EC No. | 223-849-0 |
| DTXSID | DTXSID20193963 |
| Lokaler Name | 1-Phenylpyrrolidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 110 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 3.56 |
| Schmelzpunkt | 11°C |
| Siedepunkt | 133-134°C 19mm |
| Dichte | 1.0180 |
| Brechungsindex | 1.5820 |
| Flammpunkt | 133-134°C/19mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 5.68±0.40(Predicted) |
| Löslichkeit | Not miscible in water. |
| BRN | 117030 |
| CAS Datenbank | 4096-21-3(CAS DataBase Reference) |
| NIST chemische Informationen | N-Phenylpyrrolidine(4096-21-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 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 (20%) |
| UN-Transportnummer | 2810 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 21/22 |
| Sicherheitshinweise (S) | 28-36/37 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
1-Phenylpyrrolidine are used as flooding intestinal coccidiosis, flooding Xiao NET intermediate.It can be used in agrochemical, pharmaceutical and dyestuff field.