HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Bromundecan
Undecylbromid · 1-Bromundecan · 1-bromo-undecan · UNDECYL BROMIDE · 1-BROMOUNDECANE · 1-Undecylbromide · 1-Bromoundecanol · HENDECYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 693-67-4 |
|---|---|
| Summenformel | C11H23Br |
| Durchschnittliche Molmasse | 235,2 g/mol |
| Monoisotopische Masse | 234,09831284 g/mol |
| SMILES | CCCCCCCCCCCBr |
| InChIKey | IKPSIIAXIDAQLG-UHFFFAOYSA-N |
| PubChem CID | 12744 |
| ChEMBL | CHEMBL3188046 |
| EC No. | 211-757-3 |
| DTXSID | DTXSID2049349 |
| Lokaler Name | 1-Bromundecan |
Chemische & physikalische Eigenschaften
| XLogP | 6,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 71,4 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | −9 °C(lit.) |
| Siedepunkt | 137-138 °C18 mm Hg(lit.) |
| Dichte | 1.054 g/mL at 25 °C(lit.) |
| Dampfdichte | 8.2 (vs air) |
| Brechungsindex | n20/D 1.457(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 1098390 |
| Dielektrizitätskonstante | 4.7300000000000004 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3 |
| InChIKey | IKPSIIAXIDAQLG-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCBr |
| CAS Datenbank | 693-67-4(CAS DataBase Reference) |
| EPA chemische Informationen | Undecane, 1-bromo- (693-67-4) |
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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Undecane, 1-bromo-: 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 Undecane. See Lauryl bromide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29033919 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Bromoundecane is used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran). It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.