1,4-Dibrompentan
1,4-Dibrompentan · 1,4-DIBROMOPENTANE · 1,4-dibromo-pentan · pentane,1,4-dibromo- · 1,4-Dibromopentane >1,4-Dibromopentane,97% · (RS)-1,4-Dibromopentane · 1,4-DibroMopentane, 97% 25GR · 1,4-Dibromopentane - [D94534]
Identifikatoren & physikalische Daten
| CAS No. | 626-87-9 |
|---|---|
| Summenformel | C5H10Br2 |
| Durchschnittliche Molmasse | 229,94 g/mol |
| Monoisotopische Masse | 227,91493 g/mol |
| SMILES | CC(Br)CCCBr |
| InChIKey | CNBFRBXEGGRSPL-UHFFFAOYSA-N |
| PubChem CID | 79082 |
| EC No. | 210-967-2 |
| DTXSID | DTXSID40870724 |
| Lokaler Name | 1,4-Dibrompentan |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 37,1 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -34.4 °C (lit.) |
| Siedepunkt | 98-99 °C/25 mmHg (lit.) |
| Dichte | 1.687 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.508 |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 1.687 |
| Löslichkeit | Insoluble in water. |
| BRN | 605295 |
| InChI | 1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3 |
| InChIKey | CNBFRBXEGGRSPL-UHFFFAOYSA-N |
| SMILES | CC(Br)CCCBr |
| CAS Datenbank | 626-87-9(CAS DataBase Reference) |
| NIST chemische Informationen | Pentane, 1,4-dibromo-(626-87-9) |
| EPA chemische Informationen | Pentane, 1,4-dibromo- (626-87-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29033919 |
| R-Sätze (R) | 36/37/38-36/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,4-Dibromopentane is used in the preparation of pharaoh ant trail pheromone stereoisomer, indolizidine alkaloid. It is also involved in the preparation 1,2-dimethyl-1-phenylcyclopentane and boc-L-2-amino-6-bromoheptanoic acid.
Herstellung & Synthese
synthetische
1,4-Dibromopentane is synthesized by ring-opening bromination of 2-methyltetrahydrofuran with hydrobromic acid and sulfuric acid. First, add hydrobromic acid into the reaction pot for cooling, slowly add 2-methyltetrahydrofuran and sulfuric acid in turn under stirring, and finish the addition when the temperature does not exceed 40°C. The temperature was raised to 60°C, reacted for 2h, and then reacted at 80-85°C for 4h. After cooling, the bromide was separated and washed with water until neutral to obtain 1,4-dibromopentane as an oily substance. Yield 92.5%.