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N-(4-Brombutyl)phthalimid
2-(4-BROMOBUTYL)ISOINDOLINE-1,3-DIONE · 2-(4-BROMOBUTYL)-1H-ISOINDOLE-1,3(2H)-DIONE · 2-(4-broMobutyl)-2,3-dihydro-1H-isoindole-1,3-dione · SKL282 · AKOS 92204 · N-(4-BromobutyL · RSYY(Apremilast)-7 · 4-Bromobutylphthalimide
Identifikatoren & physikalische Daten
| CAS No. | 5394-18-3 |
|---|---|
| Summenformel | C12H12BrNO2 |
| Durchschnittliche Molmasse | 282,13 g/mol |
| Monoisotopische Masse | 281,00514072 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCCCBr |
| InChIKey | UXFWTIGUWHJKDD-UHFFFAOYSA-N |
| PubChem CID | 93575 |
| ChEMBL | CHEMBL288310 |
| EC No. | 226-401-2 |
| DTXSID | DTXSID40202228 |
| Lokaler Name | N-(4-Brombutyl)phthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 269 |
| LogP (Verteilungskoeffizient) | 2.96 |
| Schmelzpunkt | 76-80 °C (lit.) |
| Siedepunkt | 165-170°C 1mm |
| Dichte | 1.5271 (rough estimate) |
| Brechungsindex | 1.6320 (estimate) |
| Flammpunkt | 165-170°C/1mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in ethanol. Insoluble in water. |
| pKa (Säurekonstante) | -2.15±0.20(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to light brown |
| BRN | 164119 |
| InChI | 1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2 |
| InChIKey | UXFWTIGUWHJKDD-UHFFFAOYSA-N |
| SMILES | O=C1N(CCCCBr)C(C2=CC=CC=C21)=O |
| CAS Datenbank | 5394-18-3(CAS DataBase Reference) |
| NIST chemische Informationen | N-(4-bromobutyl)phthalimide(5394-18-3) |
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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29251995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-(4-Bromobutyl)phthalimide is used in organic synthesis and the production of pharmaceutical. It can react with 1-phenyl-piperazine to get N-[4-(4-phenyl-piperazin-1-yl)-butyl]-phthalimide. It is a useful synthesis reagent used to synthesize B-cyclodextrin derivatives.