Structural formula
| Business number | 024X |
|---|---|
| Molecular formula | C15H17N |
| Molecular weight | 211.3 |
| label |
N-ethyl-N-benzylaniline, benzyl ethyl aniline, N-ethyl-N-benzylaniline, Benzylethylaniline, Ethylphenylbenzylamine, Ethylbenzylaniline, N-ethyl-N-phenylbenzylamine, benzyl ethylamine benzene, Amine, benzylethylphenyl |
Numbering system
CAS number:92-59-1
MDL number:MFCD00009037
EINECS number:202-169-8
RTECS number:None
BRN number:2099852
PubChem number:24846581
Physical property data
1. Properties: light yellow oily liquid
2. Density (g/mL, 25/4?): 1.034
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC): 34-36
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 94.7kpa): 285-286
7. Refractive index: 1.5930
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined 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
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17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Dissolution Properties: Soluble in ethanol, ether, chloroform and other organic solvents, insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 69.68
2. Molar volume (cm3/mol): 204.6
3. Isotonic specific volume (90.2K ): 521.2
4. Surface tension (dyne/cm): 42.0
5. Polarizability (10-24cm3): 27.62
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 3.2
7. Heavy Number of atoms: 16
8. Surface charge: 0
9. Complexity: 178
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 and stability
None
Storage method
This product should be sealed and stored in a cool place away from light.
Synthesis method
It is derived from the reaction of ethylaniline and benzyl chloride. In a lead-lined kettle, add ethyl aniline, add benzyl chloride while cooling, stir for 10 hours, and then keep warm at 100°C for 12 hours. After washing with sodium hydroxide solution, the finished product is obtained by vacuum distillation. Diethylaniline can also be used as raw material. The molar ratio of diethylaniline to benzyl chloride is 2:1. Add 1% of the input amount of diethylaniline as iodine catalyst, react at 150°C for 20 hours, and vacuum distill to obtain the finished product.
Purpose
Dye intermediates. Used in the manufacture of acid brilliant green SF, acid brilliant blue 6B, acid lake blue A, acid green 6B, acid violet 4BNS, acid orange 50, red 119, blue 5, 7, green 5, 15, 65, cationic blue 65 and other dyes .
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