Palmitoyl Chloride Palmitoyl Chloride

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:112-67-4

MDL number:MFCD00000742

EINECS number:203-996-7

RTECS number:None

BRN number:972409

PubChem number:24898879

Physical property data

1. Properties: colorless oily liquid

2. Density (g/mL, 25℃): 0.906

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

4. Melting point (ºC): 9~14

5. Boiling point (ºC, normal pressure): 158~160

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: 1.452

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Miscible with many organic solvents and soluble in ether

Toxicological data

None

Ecological data

Mildly hazardous to water.

Molecular structure data

1. Molar refractive index: 68.68

2. Molar volume (cm³/mol): 263.1

3. Isotonic specific volume (90.2K ): 613.8

4. Surface tension (dyne/cm): 29.6

5. Polarizability (10^-24cm³): 27.22

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: 1

4. Number of rotatable chemical bonds: 14

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 180

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

1. Avoid contact with oxidants and water.

2.This product is toxic. Strongly corrosive. Hydrogen chloride gas is generated when it comes in contact with water, and contact with skin can cause burns. When it splashes on the skin, rinse it with plenty of water, or alternately rinse it with lime water and 1% ammonia water. The workshop must have good ventilation. Production equipment must be sealed and operators must wear protective equipment.
　

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire, heat and water 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.

Packed in glass bottles and protected by wooden frames. Transport according to toxic chemical regulations.

Synthesis method

Obtained from the reaction of palmitic acid and thionyl chloride. Add palmitic acid, thionyl chloride and benzene into the reaction pot and heat. The reaction temperature finally reached 80-85°C and was kept warm for 2 hours. Then recover thionyl chloride and benzene at 90℃ (21.3kPa) to obtain palmitoyl chloride. Raw material consumption quota: palmitic acid 880kg/t, thionyl chloride 580kg/t, benzene 200kg/t.

Purpose

This product is an organic synthesis intermediate and is used in the pharmaceutical industry to prepare antibiotics such as chloramphenicol hexacarbonate and odorless chloramphenicol.