1-Bromooctadecane 1-Bromooctadecane

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:112-89-0

MDL number:MFCD00000231

EINECS number:204-013-4

RTECS number:None

BRN number:774145

PubChem ID:None

Physical property data

1. Properties: colorless or light yellow liquid. Scenery decomposition.

2. Density (g/mL, 25/4℃): 0.9848

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 28.5

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

6. Boiling point (ºC, 0.20kPa): 168～169

7. Refractive index: 1.4631

8. Flash point (ºC): ≥110

9. Specific rotation (º): Undetermined

7. p>

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

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: Miscible with ethanol and ether, insoluble in water .

Toxicological data

None

Ecological data

No harm to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 93.17

2. Molar volume (cm³/mol): 338.8

3. Isotonic specific volume (90.2K): 800.4

4. Surface tension (dyne/cm): 31.1

5. Polarizability (10^-24cm³): 36.93

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. Rotatable chemical bondsQuantity: 16

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 145

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Decomposes upon exposure to light. Avoid contact with oxides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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.

This product should be sealed and stored away from light.

Synthesis method

Obtained from the reaction of octadecanol and hydrogen bromide. Heat the alcohol to 100°C, pass in dry hydrogen bromide, and keep the reaction temperature at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is separated into layers, and the organic phase is washed with concentrated sulfuric acid. The bromide after removing the acid solution is mixed with an equal volume of 90% methanol, washed with ammonia water to make the bromide alkaline, then washed with 90% methanol, and washed with anhydrous water. Calcium chloride drying. Finally, distill under reduced pressure and collect the 209-211°C (1.33kPa) fraction as the finished product, with a yield of 90%.

Purpose

Organic synthesis intermediates.