Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCCCCBr- InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N- Summenformel
- C18H37Br
- Durchschnittliche Molmasse
- 333,4 g/mol
- Monoisotopische Masse
- 332,20786328
Überblick
1-Bromooctadecane has been reported in Vernonanthura patens with data available.
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromooctadecane
- IUPAC
- 1-bromooctadecane
- Englischer Name
- 1-Bromooctadecane
- Summenformel
- C18H37Br
- Molmasse
- 333.39
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-89-0- PubChem CID
- 8218
- DTXSID
DTXSID8059423- UNII
- Z7M35JLL5U
- EC Number
- 204-013-4
- Nikkaji
- J379D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 145
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 · 25-30 °C(lit.)
- Siedepunkt
- 214 · 214-216 °C12 mm Hg(lit.)
- Dichte
- 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
- Brechungsindex
- 1.462 · 1.462-1.464
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- Low Melting Solid
- Wichte
- 0.98 · 0.980 (20/4℃)
- Farbe
- Yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 774145 · 774145
- Dielectric constant
- 3.5 · 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 · 112-89-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Octadecane, 1-bromo-(112-89-0)
- EPA chemische Informationen
- 1 · Octadecane, 1-bromo- (112-89-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20869
Octadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033036
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Asp. Tox. 1
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1-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.
Darstellung
synthetische1-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%.
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