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1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate
PyCIU · PYCLU · N,N,N,N-bis( · N,N,N,N-bis(tetramethylene)*chloroformamidinium · 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium · 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidiniumhe · CHLORO-DIPYRROLIDINOCARBENIUM HEXAFLUOROPHOSPHATE · chloro-n,n,n’,n’-bis(tetramethylene)formamidiniumpf6
Identifikatoren & physikalische Daten
| CAS No. | 135540-11-3 |
|---|---|
| Summenformel | C9H16ClF6N2P |
| Durchschnittliche Molmasse | 332,65 g/mol |
| Monoisotopische Masse | 332,06438214 g/mol |
| SMILES | ClC(N1CCCC1)=[N+]1CCCC1.F[P-](F)(F)(F)(F)F |
| InChIKey | NHEGCUSBUWGOQM-UHFFFAOYSA-N |
| PubChem CID | 2736652 |
| EC No. | 626-993-6 |
| DTXSID | DTXSID80371508 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 6,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 153-156 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | almost transparency in Acetonitrile |
| Aggregatzustand | Powder or Solid |
| Farbe | White to off-white |
| BRN | 7898575 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-121-7(2,3,4,5)6/h1-8H2/q+1 |
| InChIKey | NHEGCUSBUWGOQM-UHFFFAOYSA-N |
| SMILES | [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+]1/CCCC/1)(/N1CCCC1)\Cl |
| CAS Datenbank | 135540-11-3(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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for: Enantioselective desymmetrization of meso-asiridines Peptide couplingReagent for: Heterocyclization of chloroformamidinium salts Oxidative insertion for palladium and nickel catalyst synthesis