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N-(Brommethyl)phthalimid
2-(Bromomethyl)isoindoline-1,3-dione · 2-(Bromomethyl)isoindole-1,3-dione · 2-Hydroxypiperazine · PHTHALIMIDOMETHYL BROMIDE · N-(BROMOMETHYL)PHTALIMIDE · N-(BROMOMETHYL)PHTHALIMIDE · N-PHTHALIMIDOMETHYL BROMIDE · Phthalimide, N-(bromomethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 5332-26-3 |
|---|---|
| Summenformel | C9H6BrNO2 |
| Durchschnittliche Molmasse | 240,05 g/mol |
| Monoisotopische Masse | 238,95819053 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CBr |
| InChIKey | UUSLLECLCKTJQF-UHFFFAOYSA-N |
| PubChem CID | 79244 |
| EC No. | 226-239-2 |
| DTXSID | DTXSID0063789 |
| Lokaler Name | N-(Brommethyl)phthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 230 |
| Schmelzpunkt | 152-155 °C(lit.) |
| Siedepunkt | 318.9±25.0 °C(Predicted) |
| Dichte | 1.6838 (rough estimate) |
| Brechungsindex | 1.6120 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | -2.72±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| Löslichkeit | decomposes |
| BRN | 140943 |
| InChI | 1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2 |
| InChIKey | UUSLLECLCKTJQF-UHFFFAOYSA-N |
| SMILES | BrCN1C(=O)c2ccccc2C1=O |
| CAS Datenbank | 5332-26-3(CAS DataBase Reference) |
| NIST chemische Informationen | N-bromomethylphthalimide(5332-26-3) |
| EPA chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)- (5332-26-3) |
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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29251995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N-(Bromomethyl)phthalimide was used as initiator in synthesis of α-phthalimidopoly(styrene) by atom transfer radical polymerisation. It was also used in synthesis of functionalized 5-(aminomethyl)pyrimidine-2,4,6-trione analog and new bis-C(cage)-substituted o-carborane.