Benzyldimethyltetradecyl ammonium 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:139-08-2

MDL number:MFCD00011771

EINECS number:205-352-0

RTECS number:BO7150000

BRN number:4062599

PubChem number:24848127

Physical property data

1. Properties: white crystal. Hygroscopic.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 63～65

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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: Easily soluble in water and ethanol, insoluble In organic solvents such as benzene and ether.

Toxicological data

Skin/Eye Irritation Data

Rabbit Skin Contact: 1mg/24H

Rabbit Eye Contact: 1mg

Acute Toxicity Data:

Mouse intravenous LC50: 18mg/kg

Ecological data

None

Molecular structure data

None

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: 15

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 265

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

Cannot be blended with anions.

Storage method

This product should be kept sealed.

Synthesis method

1. Prepared by the reaction of tetradecyldimethyltertiary amine and benzyl chloride. Use tetradecyldimethylamine as raw material, react with benzyl chloride, and perform quaternization
This product can be prepared by the reaction, but due to domestic The raw material of tetradecanol often contains a certain amount of dodecanol, so the tetradecyldimethyltertiary amine produced by the new catalytic ammoniation process of tetradecyl alcohol and dimethylamine also often contains a certain amount of dodecanol. Alkyl dimethyl tertiary amine, so the product often contains a certain amount of dodecyl dimethyl benzyl ammonium chloride. Take 241 parts of tetradecyldimethyl tertiary amine, add 126.5 parts of benzyl chloride at a temperature not exceeding 100-110°C, and heat at 120°C for 2 hours to obtain a light yellow viscous liquid, which is cooled into a solid. The yield is 90%. above. The reaction formula is as follows:

Purpose

1. Commonly used cationic surfactants can improve the performance of analytical reagents, such as increasing the sensitivity of glyoxal bis-(2-hydroxyaniline) when measuring calcium and increasing the stability of chromium azure S when measuring aluminum.

2.This product is the main component of JN- bactericidal algaecide. Good compatibility with non-ionic, zwitterionic and other cationic active substances. Good thermal stability.

3.It is commonly used as a bactericidal algaecide, slime stripper and system cleaning agent in industrial circulating water treatment.