1-Bromooctadecane
STEARYL BROMIDE · OCTADECYL BROMIDE · N-OCTADECYL BROMIDE · BroMo octadecane · OCLadecyl BroMide · 1-BROMOOCTADECANE · 1-bromo-octadecan · 1-Bromooctodecane
Identifikatoren & physikalische Daten
| CAS No. | 112-89-0 |
|---|---|
| Summenformel | C18H37Br |
| Durchschnittliche Molmasse | 333,4 g/mol |
| Monoisotopische Masse | 332,20786328 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCBr |
| InChIKey | WSULSMOGMLRGKU-UHFFFAOYSA-N |
| PubChem CID | 8218 |
| EC No. | 204-013-4 |
| DTXSID | DTXSID8059423 |
Chemische & physikalische Eigenschaften
| XLogP | 10,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 16 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 145 |
| Stoffklassen | Other Classes -> Halogenated Aliphatics, Saturated |
| Dampfdruck | 0.00000594 [mmHg] |
| Physical Description | White odorless solidmp = 25-30 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 25-30 °C(lit.) |
| Siedepunkt | 214-216 °C12 mm Hg(lit.) |
| Dichte | 0.976 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.462-1.464 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Low Melting Solid |
| Wichte | 0.980 (20/4℃) |
| Farbe | Yellow |
| Löslichkeit | insoluble |
| BRN | 774145 |
| Dielektrizitätskonstante | 3.5(30.0℃) |
| InChI | 1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 |
| InChIKey | WSULSMOGMLRGKU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCBr |
| CAS Datenbank | 112-89-0(CAS DataBase Reference) |
| NIST chemische Informationen | Octadecane, 1-bromo-(112-89-0) |
| EPA chemische Informationen | Octadecane, 1-bromo- (112-89-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.WarningH315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20869Octadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See Lauryl bromide. |
| Hazard Classes and Categories | Skin Irrit. 2 (98.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29033036 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Asp. Tox. 1 |
Anwendungen & Verwendung
Verwenden
1-Bromooctadecane was used in the synthesis of shortened single-walled carbon nanotubes (s-SWCNTs). It is utilized to prepare octadecane in the presence of sodium borohydride as a catalyst. It is involved as a raw material for the preparation of dimethyldistearylammonium bromide, which is a bentonite modifier.
Herstellung & Synthese
synthetische
1-Bromooctadecane is synthesized by the reaction of stearyl alcohol with hydrogen bromide. The alcohol is heated to 100°C, dry hydrogen bromide is introduced, and the reaction temperature is maintained at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is layered, the organic phase is washed with concentrated sulfuric acid, the bromide after the acid solution is separated and mixed with an equal volume of 90% methanol, washed with ammonia to make the bromide alkaline, then washed with 90% methanol, and anhydrous Dry calcium chloride. Finally, vacuum distillation, collecting 209-211 ℃ (1.33kPa) fraction is 1-bromooctadecane, and the yield is 90%.