5-Brompent-1-en
5-bromopent-1-ene · 5c · 3-Pentenylbromide · 5-Bromopentene · 5-bromo-pent-1-ene · 5-b · C5H9Br · 5-bromo-1-penten
Identifikatoren & physikalische Daten
| CAS No. | 1119-51-3 |
|---|---|
| Summenformel | C5H9Br |
| Durchschnittliche Molmasse | 149,03 g/mol |
| Monoisotopische Masse | 147,98876239 g/mol |
| SMILES | C=CCCCBr |
| InChIKey | LPNANKDXVBMDKE-UHFFFAOYSA-N |
| PubChem CID | 70704 |
| EC No. | 214-281-4 |
| DTXSID | DTXSID7061512 |
| Lokaler Name | 5-Brompent-1-en |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 32,9 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Unsaturated |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -106.7°C (estimate) |
| Siedepunkt | 126-127 °C/765 mmHg (lit.) |
| Dichte | 1.258 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.463(lit.) |
| Flammpunkt | 30 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Ethyl AcetateImmiscible with water. |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 1.258 |
| BRN | 506077 |
| InChI | 1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2 |
| InChIKey | LPNANKDXVBMDKE-UHFFFAOYSA-N |
| SMILES | BrCCCC=C |
| CAS Datenbank | 1119-51-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Pentene, 5-bromo-(1119-51-3) |
| EPA chemische Informationen | 1-Pentene, 5-bromo- (1119-51-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/198655-Bromo-1-pentene: 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 Allyl iodide and Allyl bromide. See 3,4-Dichloro-1-butene and 3-Chloro-2-methyl-1-propene. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29033036 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-24/25-16 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
5-Bromo-1-pentene is an organic compound with a molecular weight of 149.03. The formula of this compound is C5H9Br. It is a colorless, transparent liquid. The molecular structure of this molecule contains both double bonds and bromine atoms, giving it the properties of olefins and halogenated hydrocarbons. It serves as the starting material for the synthesis of DL-histrionicotoxin and phenyl-ketone fatty acids. Additionally, it is a fundamental chemical and pharmaceutical intermediate, finding wide applications in the fields of medicine, pesticides, and material chemistry.
Verwenden
5-Bromo-1-pentene is widely utilized in the stereoselective synthesis of 7alpha-(3-carboxypropyl) estradiol. It plays an important role as starting material in the synthesis of a variety of compounds including DL-histrionicotoxin and benzophenone containing fatty acids.