1-Bromooctadecane

HCID 8218CAS 112-89-0

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

1-BROMOOCTADECANEOctadecyl bromideOctadecane, 1-bromo-AI3-00994NSC 5542EINECS 204-013-4OCTADECANE,1-BROMODTXSID8059423nOctadecyl bromideOctadecane, 1bromoRefChem:75174DTXCID4033265
Weitere Namen anzeigen
BroMo octadecaneOCLadecyl BroMide1-bromo-octadecan1-Bromooctodecaneoctadecane,1-bromo-1-Bromooctadecane,96%
204-013-4InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1HWSULSMOGMLRGKU-UHFFFAOYSA-N112-89-0Stearyl bromiden-Octadecyl bromideC18H37Brbromooctadecane

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
Vapor Pressure0.00000594 [mmHg]
Physical DescriptionWhite odorless solid; mp = 25-30 deg C; [Alfa Aesar MSDS]

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 2 Einträge

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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Lauryl bromide.
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29033036
risk_code
36/37/38
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationOctadecane, 1-bromo-: ACTIVE
Anwendungen · 1 Eintrag

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 · 1 Eintrag

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%.

Anbieter50 Anbieter

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