Tetraethylammonium bromide Tetraethylammonium bromide

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:71-91-0

MDL number:MFCD00011825

EINECS number:200-769-4

RTECS number:BS5950000

BRN number:3563430

PubChem ID:None

Physical property data

1. Properties: white crystal, easy to absorb moisture. 2. Density (g/mL, 25/4℃): 1.397

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

4. Melting point (ºC): 285 (dec.)(lit.)

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

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

7. Refractive index: 1.442-1.444

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

11. Vapor pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure ( kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V /V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in water, ethanol, chloroform and acetone, Slightly soluble in benzene.

Toxicological data

Acute toxicity: rat intraperitoneal LD50: 108 mg/kg; rat subcutaneous injection LD50: 200 mg/kg; rat intravenous LD50: 63 mg/kg; mouse oral LD50: >2 mg/kg;

              Mouse abdominal LD50: 50 mg/kg; mouse intravenous LD50: 14200 ug/kg; dog intravenous LD50: 55 mg/kg; rabbit intravenous LD50: 72 mg/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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 47.5

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

Easily soluble in water and ethanol.

Storage method

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

Synthesis method

In a 250mL three-necked flask equipped with a reflux condenser and a stirrer, add 7mL (5g, 0.05mol) triethylamine, 4mL (5.5g, 0.05mol) bromoethane and 20mL, 1,2-dichloroethane. Or benzene. Reflux and heat for 1.5 to 2 hours. After cooling the reaction solution, crystals are precipitated, filtered, washed twice with a small amount of 1,2-dichloroethane or benzene, dried and stored in a desiccator. Yield 8~10g.

Purpose

For ion pair chromatography. Tests gold, iridium, osmium, palladium, rhodium and ruthenium. Polarographic analysis. Used as a phase transfer catalyst in organic synthesis.