1-Bromooctane
Synonym(s):1-Bromooctane;Octyl bromide
- CAS NO.：111-83-1
- Empirical Formula: C8H17Br
- Molecular Weight: 193.12
- MDL number: MFCD00000276
- EINECS: 203-912-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-18 17:01:59
What is 1-Bromooctane?
Chemical properties
clear colourless to yellow-brown liquid. insoluble in water, miscible with ethanol and ether.
The Uses of 1-Bromooctane
1-Bromooctane is used in organic synthesis. It is also used as an extraction solvent in the determination of volatile organic compounds present in water samples. Further, it is used in the preparation of quaternary ammonium chloride-modified poly(propylenimine) dendrimers.
Preparation
1-Bromooctane is prepared by reacting octanol with hydrobromic acid. After the sodium bromide was completely dissolved with sulfuric acid, n-octanol was added, heated to reflux for 7-8 hours, cooled and diluted with water, the organic phase was separated, washed with water, concentrated sulfuric acid, water, and 10% sodium carbonate solution in turn, and washed with anhydrous sulfuric acid. Sodium dry. Distillation of 196-200°C, or 91-93°C (2.93kPa) fraction, is the finished product of 1-bromooctane. The yield is over 90%.
Synthesis Reference(s)
Chemistry Letters, 6, p. 1117, 1977
Journal of the American Chemical Society, 96, p. 8115, 1974 DOI: 10.1021/ja00833a048
Tetrahedron Letters, 28, p. 4445, 1987 DOI: 10.1016/S0040-4039(00)96534-1
Purification Methods
Shake the bromide with H2SO4, wash it with water, dry with K2CO3 and fractionally distil it. [Beilstein 1 IV 422.]
Properties of 1-Bromooctane
| Melting point: | -55 °C |
| Boiling point: | 201 °C (lit.) |
| Density | 1.118 g/mL at 25 °C (lit.) |
| vapor density | 6.7 (vs air) |
| vapor pressure | 0.34 mm Hg ( 25 °C) |
| refractive index | n |
| Flash point: | 173 °F |
| storage temp. | Store below +30°C. |
| solubility | insoluble |
| form | Liquid |
| color | Clear colorless to yellow-brown |
| Water Solubility | insoluble |
| Merck | 14,6764 |
| BRN | 1733136 |
| Dielectric constant | 5.0（Ambient） |
| CAS DataBase Reference | 111-83-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Octane, 1-bromo-(111-83-1) |
| EPA Substance Registry System | Octane, 1-bromo- (111-83-1) |
Safety information for 1-Bromooctane
| Signal word | Warning |
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P501:Dispose of contents/container to..… |
Computed Descriptors for 1-Bromooctane
| InChIKey | VMKOFRJSULQZRM-UHFFFAOYSA-N |
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