N-ethyl-N-phenylbenzylamine

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: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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