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N-2-Bromethylphthalimid
2-(2-Bromoethyl)isoindoline-1,3-dione · 2-(2-BROMO-ETHYL)-ISOINDOLE-1,3-DIONE · AURORA KA-575 · N-(2-BromoethyL · TIMTEC-BB SBB003129 · N-(2-Bromoethyl)phth · SPECS AE-641/00791032 · Indobufen Impurity 95
Identifikatoren & physikalische Daten
| CAS No. | 574-98-1 |
|---|---|
| Summenformel | C10H8BrNO2 |
| Durchschnittliche Molmasse | 254,08 g/mol |
| Monoisotopische Masse | 252,9738406 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCBr |
| InChIKey | CHZXTOCAICMPQR-UHFFFAOYSA-N |
| PubChem CID | 11325 |
| ChEMBL | CHEMBL595355 |
| EC No. | 209-379-9 |
| DTXSID | DTXSID0060357 |
| Lokaler Name | N-2-Bromethylphthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 243 |
| Schmelzpunkt | 80-83 °C (lit.) |
| Siedepunkt | 318 °C |
| Dichte | 1.6254 (rough estimate) |
| Brechungsindex | 1.6320 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -2.35±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to slightly pink or beige |
| Löslichkeit | insoluble |
| BRN | 148736 |
| InChI | InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2 |
| InChIKey | CHZXTOCAICMPQR-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCBr |
| CAS Datenbank | 574-98-1(CAS DataBase Reference) |
| NIST chemische Informationen | N-(beta-bromoethyl)phthalimide(574-98-1) |
| EPA chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)- (574-98-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29251995 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-(2-Bromoethyl)phthalimide is an intermediate used in organic synthesis. It can react with phenyl magnesium bromide to get 2-(2-bromo-ethyl)-3-hydroxy-3-phenyl-isoindolin-1-one.