1-Bromooctane 1-Bromooctane
Structural formula
| Business number | 034E |
|---|---|
| Molecular formula | C8H17Br |
| Molecular weight | 193.13 |
| label |
Bromooctane, n-Octane bromide, Bromooctane, n-octyl bromide, 1-bromooctane, 1-Bromo-n-octane, Octyl bromide, Aliphatic halogenated derivatives |
Numbering system
CAS number:111-83-1
MDL number:MFCD00000276
EINECS number:203-912-9
RTECS number:RG8575000
BRN number:1733136
PubChem number:24845135
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 1.1072
3. Relative density (20℃, 4℃): 1.1122
4 . Melting point (ºC): -55
5. Boiling point (ºC, normal pressure): 201.5
6. Refractive index at room temperature (n20): 1.4524
7. Refractive index: 1.4503
8. Flash point (ºC): 80
9. Refractive index at room temperature (n25): 1.4503
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17 . Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Can be mixed with ethanol Ether is miscible and insoluble in water.
Toxicological data
None
Ecological data
Generally speaking it is not harmful to water.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 46.84
2. Molar volume (cm3/mol): 173.7
3. Isotonic specific volume (90.2K): 402.5
4. Surface tension (dyne/cm): 28.8
5. Polarizability (10-24cm3): 18.57
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 43.8
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain atomsNumber of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Stored sealed in a cool, dry place. Store away from oxidizing agents.
100ml glass bottle, protected by wooden box or carton. Store in a cool, dry and ventilated warehouse.
Synthesis method
Derived from the reaction of octanol and hydrobromic acid. After completely dissolving sodium bromide with sulfuric acid, add n-octanol, heat to reflux for 7-8 hours, dilute with water after cooling, separate the organic phase, wash with water, concentrated sulfuric acid, water, 10% sodium carbonate solution, and anhydrous sulfuric acid. Sodium drying. The distilled fraction at 196-200℃ or 91-93℃ (2.93kPa) is the finished product. The yield is over 90%.
Purpose
Used in organic synthesis. The intermediate of Bacteroxin.
