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1-Brom-3-methylbut-2-en
1-BROMO-3-METHYLBUT-2-ENE · PRENYL BROMIDE · 1-BROMO-3-METHYL-2-BUTENE · 1-bromo-3-methyl-2-buten · Isopentenyl bromide · 3,3-Dimethallylbromide · 4-BROMO-2-METHYL-2-BUTENE · 1-Brom-3-methyl-2-buten(4-2,2)
Identifikatoren & physikalische Daten
| CAS No. | 870-63-3 |
|---|---|
| Summenformel | C5H9Br |
| Durchschnittliche Molmasse | 149,03 g/mol |
| Monoisotopische Masse | 147,98876239 g/mol |
| SMILES | CC(C)=CCBr |
| InChIKey | LOYZVRIHVZEDMW-UHFFFAOYSA-N |
| PubChem CID | 70092 |
| EC No. | 212-799-5 |
| DTXSID | DTXSID2061228 |
| Lokaler Name | 1-Brom-3-methylbut-2-en |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 51 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -106.7°C (estimate) |
| Siedepunkt | 82-83 °C150 mm Hg(lit.) |
| Dichte | 1.29 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.489(lit.) |
| Flammpunkt | 88 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless, yellow or brown |
| Wichte | 1.27 |
| Löslichkeit | Immiscible with water |
| BRN | 1420778 |
| InChI | 1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3 |
| InChIKey | LOYZVRIHVZEDMW-UHFFFAOYSA-N |
| SMILES | C\C(C)=C\CBr |
| CAS Datenbank | 870-63-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butene, 1-bromo-3-methyl-(870-63-3) |
| EPA chemische Informationen | 2-Butene, 1-bromo-3-methyl- (870-63-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (96.3%): 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 1335 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Butene, 1-bromo-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (96.3%) |
| F | 8-10-19-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29033990 |
| R-Sätze (R) | 10-34-20/21/22-11 |
| Gefahrensymbole | C,F |
| Sicherheitshinweise (S) | 26-36/37/39-45-16 |
| Gefahrenklasse | 3Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3,3-Dimethylallyl bromide is a useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2