HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombut-1-en
4-bromobut-1-ene · 4-bromo-but-1-ene · Homoallyl bromide · 4-Bromobutene · 1-Bromo-3-butene · 4-Brombut-1-en · 4-bromo-1-buten · homoallylbromide
Identifikatoren & physikalische Daten
| CAS No. | 5162-44-7 |
|---|---|
| Summenformel | C4H7Br |
| Durchschnittliche Molmasse | 135 g/mol |
| Monoisotopische Masse | 133,97311232 g/mol |
| SMILES | C=CCCBr |
| InChIKey | DMAYBPBPEUFIHJ-UHFFFAOYSA-N |
| PubChem CID | 21241 |
| EC No. | 225-937-4 |
| DTXSID | DTXSID1063722 |
| Lokaler Name | 4-Brombut-1-en |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 24,8 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 2.53 |
| Schmelzpunkt | -115.07°C (estimate) |
| Siedepunkt | 98-100 °C (lit.) |
| Dichte | 1.33 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | 49 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.76g/lMiscible with water, benzene, ether and ethanol. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light brownish |
| Wichte | 1.330 |
| BRN | 1098377 |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. Highly flammable. Light sensitive. |
| InChI | 1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2 |
| InChIKey | DMAYBPBPEUFIHJ-UHFFFAOYSA-N |
| SMILES | BrCCC=C |
| CAS Datenbank | 5162-44-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butene, 4-bromo-(5162-44-7) |
| EPA chemische Informationen | 1-Butene, 4-bromo- (5162-44-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/255344-Bromo-1-butene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29033036 |
| R-Sätze (R) | 11-36/37-42/43 |
| Gefahrensymbole | F,Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Bromo-1-butene is a brominated alkene used as a reagent in organic synthesis.