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4-Bromstyrol
1-Bromo-4-vinylbenzene · 1-bromo-4-ethenylbenzene · DK657 · DK796 · NSC 60393 · 4-Bromstyrol · p-Bromostyrol · BROMOSTYRENE-4
Identifikatoren & physikalische Daten
| CAS No. | 2039-82-9 |
|---|---|
| Summenformel | C8H7Br |
| Durchschnittliche Molmasse | 183,04 g/mol |
| Monoisotopische Masse | 181,97311232 g/mol |
| SMILES | C=Cc1ccc(Br)cc1 |
| InChIKey | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| PubChem CID | 16263 |
| EC No. | 218-022-6 |
| DTXSID | DTXSID40174330 |
| Lokaler Name | 4-Bromstyrol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 90,7 |
| Polymers | Plastics & Rubber -> Styrenes |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Pale yellow liquidmp = 3-6 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 4.5 °C |
| Siedepunkt | 89 °C16 mm Hg(lit.) |
| Dichte | 1.40 g/mL at 20 °C |
| Brechungsindex | n20/D 1.594(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | -20°C |
| Löslichkeit | Miscible with ethanol, ether and benzene. |
| Aggregatzustand | Liquid |
| Farbe | light greenish-yellow |
| BRN | 1634204 |
| InChI | InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2 |
| InChIKey | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C=C)C=C1 |
| CAS Datenbank | 2039-82-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4-BrC6H4CH=CH2(2039-82-9) |
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-bromo-4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See p-Chlorostyrene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Bromostyrene is widely utilized in the synthesis of nitroolefins by alkene cross-metathesis. It plays an important role in the Heck reaction to the synthesis of poly(1,4-phenylenevinylene). It is employed in the structure activity relationships (SAR) study of the chemical and biochemical properties of the vinyl group of styrene. It is also used to investigate the photochemical growth of Br-terminated self-assembled monolayers. It is also involved in the synthesis of silsesquioxanes.