HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(2-(p-Bromphenoxy)ethyl)pyrrolidin
1-[2-(p-Bromophenoxy)ethyl]pyrrolidine · LABOTEST-BB LT00452768 · 4-[2-Pyrrolidinoethoxy]phenyl · 4-[2-PYRROLIDINOETHOXY]PHENYL BROMIDE · N-[2-(4-BROMOPHENOXY)ETHYL]PYRROLIDINE · 1-[2-(4-BROMOPHENOXY)ETHYL]PYRROLIDINE · N-(2-(p-bromophenoxy)ethyl)pyrrolidine · 4-[2-N,N-PYRROLIDINOETHOXY]PHENYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 1081-73-8 |
|---|---|
| Summenformel | C12H16BrNO |
| Durchschnittliche Molmasse | 270,17 g/mol |
| Monoisotopische Masse | 269,04152623 g/mol |
| SMILES | Brc1ccc(OCCN2CCCC2)cc1 |
| InChIKey | YDWKSSWZGXRQET-UHFFFAOYSA-N |
| PubChem CID | 70657 |
| ChEBI | CHEBI:151118 |
| EC No. | 214-100-9 |
| DTXSID | DTXSID70148408 |
| Lokaler Name | N-(2-(p-Bromphenoxy)ethyl)pyrrolidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 174 |
| Siedepunkt | 138-140 °C1.2 mm Hg(lit.) |
| Dichte | 1.304 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.557(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 9.54±0.20(Predicted) |
| InChI | 1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2 |
| InChIKey | YDWKSSWZGXRQET-UHFFFAOYSA-N |
| SMILES | Brc1ccc(OCCN2CCCC2)cc1 |
| CAS Datenbank | 1081-73-8(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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-[2-(4-Bromophenoxy)ethyl]pyrrolidine was used in the synthesis of 4-OCH2CH2 -pyrrolidine.