1-Bromooctane

1-Bromooctane
  • CAS No.:111-83-1
Other grades of this product :
1-Bromooctane Basic information
Product Name:1-Bromooctane
Synonyms:1-Bromooctane, 98+%;1-BROMOOCTANE;AKOS BBS-00004404;N-OCTYL BROMIDE;OCTYL BROMIDE;BROMOOCTANE;1-OCTYLBROMIDE;Bromooctane,98%
CAS:111-83-1
MF:C8H17Br
MW:193.12
EINECS:203-912-9
Product Categories:ALKYL BROMIDE;Bromine Compounds;Alkyl Bromides;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Bromine chemicals
Mol File:111-83-1.mol
1-Bromooctane Chemical Properties
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.)
Fp 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
InChIKeyVMKOFRJSULQZRM-UHFFFAOYSA-N
CAS DataBase Reference111-83-1(CAS DataBase Reference)
NIST Chemistry ReferenceOctane, 1-bromo-(111-83-1)
EPA Substance Registry SystemOctane, 1-bromo- (111-83-1)
Safety Information
Hazard Codes N
Risk Statements 36/37/38-50/53
Safety Statements 23-24/25-61-60
RIDADR UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany 3
RTECS RG8575000
TSCA Yes
HazardClass 9
PackingGroup III
HS Code 29033036
ToxicityLD50 orally in rats: 4.49 ml/kg (Smyth)
MSDS Information
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1-Bromooctane English
ACROS English
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1-Bromooctane Usage And Synthesis
Chemical Propertiesclear colourless to yellow-brown liquid. insoluble in water, miscible with ethanol and ether.
Uses1-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.
Preparation1-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, 1977Journal of the American Chemical Society, 96, p. 8115, 1974 DOI: 10.1021/ja00833a048Tetrahedron Letters, 28, p. 4445, 1987 DOI: 10.1016/S0040-4039(00)96534-1
Purification MethodsShake the bromide with H2SO4, wash it with water, dry with K2CO3 and fractionally distil it. [Beilstein 1 IV 422.]

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