1-Bromooctane 1-Bromooctane

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.