1-Bromotetradecane 1-Bromotetradecane

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:112-71-0

MDL number:MFCD00000228

EINECS number:203-999-3

RTECS number:None

BRN number:1742640

PubChem number:24851079

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25℃): 1.018

3. Relative density (20℃, 4℃): 1.0170

4. Melting point (ºC): 5.6

5. Boiling point (ºC, normal pressure): 307

6. Boiling point (ºC, 2.67Kpa) 175-178

7. Refractive index: 1.460

8. Flash point (ºC) 149

9. Relative density (25℃, 4℃): 1.0129

10. Refractive index at room temperature (n²⁰): 1.4603

11. Refractive index at room temperature (n²⁵): 1.4584

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water, easily soluble in acetone , benzene and chloroform.

Toxicological data

None

Ecological data

Slightly hazardous to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 74.64

2. Molar volume (cm³/mol): 272.8

3. Isotonic specific volume (90.2K): 641.2

4. Surface tension (dyne/cm): 30.5

5. Polarizability (10^-24cm³): 29.58

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: 12

5. MututationNumber of structures: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 102

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxidants.

Storage method

Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging must be sealed and protected from moisture. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Derived from bromination of tetradecanol. Add tetradecanol to the reaction pot, add sulfuric acid dropwise while stirring, and continue stirring for half an hour after the addition. Then add hydrobromic acid, heat to 99-101°C, and react for 8 hours. Cool to 30°C, stop stirring, and leave for 12 hours. Separate the upper oily substance and adjust the pH to 8 with 10% sodium carbonate solution. Separate the water layer, wash the oil twice with an equal volume of 50% ethanol, add sodium carbonate to the washed oil, stir intermittently, and dry for 24 hours. Filter to get the finished product.

Purpose

Organic synthesis intermediates.