| Identification | More | [Name]
1-Bromooctane | [CAS]
111-83-1 | [Synonyms]
1-BROMOOCTANE
1-OCTYLBROMIDE
AKOS BBS-00004404
BROMOOCTANE
N-OCTYL BROMIDE
OCTYL BROMIDE
1-Bromoctan
1-Bromo-n-octane
1-bromo-octan
1-Octylbromid
Caprylbromide
Caprylicbromide
Octane,1-bromo-
Octoicbromide
Octylicbromide
Bromooctane,98%
Capryl bromide~n-Octyl bromide
1-BROMOOCTANE, STANDARD FOR GC
1-Bromooctane, 98+%
1-bromoctane | [EINECS(EC#)]
203-912-9 | [Molecular Formula]
C8H17Br | [MDL Number]
MFCD00000276 | [Molecular Weight]
193.12 | [MOL File]
111-83-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO YELLOW-BROWN LIQUID | [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 | [Detection Methods]
GC,MS | [Merck ]
14,6764 | [BRN ]
1733136 | [Henry's Law Constant]
1.7×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Dielectric constant]
5.0（Ambient） | [InChI]
1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3 | [InChIKey]
VMKOFRJSULQZRM-UHFFFAOYSA-N | [SMILES]
CCCCCCCCBr | [CAS DataBase Reference]
111-83-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Octane, 1-bromo-(111-83-1) | [EPA Substance Registry System]
111-83-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS09 | [Signal word ]
Warning | [Hazard statements ]
H410 | [Precautionary statements ]
P273-P501 | [Hazard Codes ]
N | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [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 | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29033036 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1 | [Toxicity]
LD50 orally in rats: 4.49 ml/kg (Smyth) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1-Octanol-->Dioctyl divinyltriamino glycine-->1-Butanol, 4-(octylsulfinyl)--->Hydrogen bromide | [Preparation Products]
2-Hexyldecanoic Acid-->3',4'-(Dioctyloxy)benzaldehyde-->4-n-Octylbenzaldehyde-->1-Octanesulfonic acid, sodium salt, monohydrate-->Sodium 1-octanesulfonate-->DIOCTYL ETHER-->1-Mercaptooctane-->2-Tolylboronic acid-->N,N-Dimethyloctylamine-->Trioctylphosphine-->Otilonium bromide-->N-Octyl pyrrolidone-->2-Methylundecane-->3-Hydroxydodecanoic acid-->1,1-diethoxynonane-->1-Phenylnonane-->2,6-Bis(trimethyltin)-4,8-dioctyloxybenzo[1,2-b:3,4-b]dithiophene |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless to yellow-brown liquid. insoluble in water, miscible with ethanol and ether. | [Uses]
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.] | [Toxics Screening Level]
The initial threshold screening level (ITSL) for 1-bromooctane is 16 μg/m3 with annual averaging time. |
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