N-Ethylcarbazole N-Ethylcarbazole
Structural formula
| Business number | 01WH |
|---|---|
| Molecular formula | C14H13N |
| Molecular weight | 195.26 |
| label |
9-Ethylcarbazole, 9-Ethylcarbazole, Heterocyclic compounds |
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.
