Benzyltrimethylammonium Chloride Benzyltrimethylammonium 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:56-93-9

MDL number:MFCD00011782

EINECS number:200-300-3

RTECS number:BO8400000

BRN number:3917255

PubChem number:24848426

Physical property data

1. Properties: White or light yellow crystals, easy to absorb moisture.

2. Density (g/mL, 20/4℃): 1.072

3. Melting point (ºC): 239 (decomposition)

4. Refraction Rate (20ºC): 1.470

5. Solubility: Easily soluble in water, ethanol, hot benzene and butanol, slightly soluble in dibutyl phthalate and tributyl phosphate, insoluble in ether. Irritating.

Toxicological data

1. Acute toxicity: Rat oral LDLo: 250mg/kg; mouse oral LDLo: 1600mg/kg

2. Irritating to eyes, respiratory system and skin.

Ecological data

None yet

Molecular structure data

None yet

Calculate 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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 107

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: 2

Properties and stability

Hygroscopic. It is stable below 135℃ and decomposes into benzyl chloride and trimethylamine above 135℃. Protective clothing should be worn when using.

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

The mixture of benzyl chloride, trimethylamine and methanol was refluxed for 4 hours, the methanol was evaporated to obtain a crude product, and the finished product benzyltrimethylammonium chloride was obtained through ethanol recrystallization with a yield of 88%.

Purpose

Reagents, emulsifiers, cellulose solvents, and polymerization inhibitors for the determination of platinum, palladium, mercury, and gold.