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HomeProduct name list1-Bromooctane

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: 2024-12-18 14:07:02
1-Bromooctane Structural

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  n20/D 1.452(lit.)
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)
ghs
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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