Stearoyl Chloride Stearoyl 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:112-76-5

MDL number:MFCD00000744

EINECS number:204-004-5

RTECS number:RG2162000

BRN number:639784

PubChem number:24850056

Physical property data

1. Appearance: Yellow transparent oily liquid

2. Density (g/mL, 20℃): 0.915

3. Melting point (ºC): 23

4. Boiling point (ºC, 0.27kpa): 174~178

5. Refractive index: 1.4541

6. Flash point (ºC): 165

7. Solubility: Soluble in hydrocarbons, such as benzene, ether and alcohol.

Toxicological data

It is tear-jerking and corrosive.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water pollution.

Molecular structure data

1. Molar refractive index: 90.31

2. Molar volume (cm³/mol): 334.1

3. Isotonic specific volume (90.2K ): 791.7

4. Surface tension (dyne/cm): 31.5

5. Polarizability (10^-24cm³): 35.80

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: 16

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 204

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

1. Avoid contact with water, alcohols, strong oxidants, and strong alkalis.

2.This product is toxic. It is irritating and corrosive to skin, mucous membranes, eyes, etc. The workshop should be well ventilated and the equipment should be sealed. Operators must wear labor protection supplies. If it splashes on skin, rinse with plenty of water.
　

�How to save

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, alkalis, alcohols, etc. and avoid mixed storage. Equipped with corresponding varieties and quantities of fire-fighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

2. Packed in porcelain bottles, net weight 20kg. Store in a dry and ventilated place. Handle with care and transport according to regulations on toxic chemicals.

Synthesis method

Mix stearic acid and dimethylformamide, add a catalyst, and react with phosgene. Then nitrogen gas is used to remove the hydrogen chloride and excess phosgene generated by the reaction, and the product is distilled under reduced pressure to obtain the finished product. Raw material consumption quota: stearic acid 970kg/t, phosgene (98%) 420kg/t, dimethylformamide (98%) 10kg/t, liquid alkali (30%) 400kg/t.

Purpose

It is mainly used as an intermediate for color film couplers, and is also used as a raw material for the esterification of alcohols and other organic compounds.