N-Ethylcarbazole N-Ethylcarbazole

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:86-28-2

MDL number:MFCD00004967

EINECS number:201-660-4

RTECS number:FE6225700

BRN number:148115

PubChem number:24894337

Physical property data

1. Properties: White needle-like crystals.

2. Density (g/mL, 25/4℃): 1.059

3. Relative vapor density (g/mL, air=1): 5.9

4. Melting point (ºC): 68

5. Boiling point (ºC, normal pressure): 175 (ºC, 0.67kpa or 5 mmHg)

6. Boiling point (ºC, 5.2kPa): 190 (ºC, 1.33kpa)

7. Refractive index: 1.6394

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

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

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

19. Solubility: Soluble in hot ethanol, ether, acetone, chlorobenzene and pentane. Insoluble in water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 63.18

2. Molar volume (cm³/mol): 182.3

3. Isotonic specific volume (90.2K): 457.0

4. Surface tension (dyne/cm): 39.5

5. Polarizability (10^-24cm³): 25.04

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 4.9

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 203

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 andStability

Irritates the skin and causes dermatitis. The production workshop should be well ventilated and the equipment should be sealed. Operators should wear protective equipment. See N-vinyl(yl)carbazole (D040).
　

Storage method

Seal and save.

Lined with plastic bag and outer cardboard bucket. Store in a cool, dry and ventilated place. Sun protection and moisture-proof. Store and transport according to regulations on toxic chemicals.

Synthesis method

Using carbazole and ethyl chloride as raw materials, first use sodium hydroxide to generate potassium salt from carbazole, and then react and refine it with ethyl chloride. It can also be obtained by reacting carbazole potassium salt with ethylene oxide. It can also be obtained by reacting carbazole with acetylene.

1. The diethyl sulfate method is prepared by ethylation of carbazole with diethyl sulfate. The reaction formula is as follows:

　2. The ethyl chloride method is prepared by alkylating carbazole with ethyl chloride. The reaction formula is as follows:

First, the potassium salt is made by reacting carbazole and sodium hydroxide at 270℃ ; Then, ethyl chloride is introduced at 215°C and 0.98MPa for ethylation; after the reaction is completed, the product is obtained by distillation.

Purpose

Used as dye intermediates, agricultural chemicals, and reagents. In the dye industry, it is used to produce permanent violet RL, Qingguang Haichang blue, etc.