N,N-dibenzylaniline
Structural formula
| Business number | 0240 |
|---|---|
| Molecular formula | C20H19N |
| Molecular weight | 273.37 |
| label |
N,N-Dibenzylaniline; N-Tolyleneaniline, N,N-Dibenzylamine; N-Phenyldiethanolamine |
Numbering system
CAS number:91-73-6
MDL number:MFCD00022015
EINECS number:202-093-5
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: needle-like or columnar crystal
2. Density (g/mL, 25/4℃): 1.0444
3. Relative vapor density (g/mL , air=1): Undetermined
4. Melting point (ºC): 71～78
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 1.33kPa): 226
7. Refractive index: 1.6065
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 ether, benzene, hot ethanol and hot acetic acid. Insoluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 89.54
2. Molar volume (cm3/mol): 248.8
3. Isotonic specific volume (90.2K ): 653.5
4. Surface tension (dyne/cm): 47.6
5. Polarizability (10-24cm3): 35.49
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: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 250
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 yet
Storage method
This product should be kept sealed.
Synthesis method
Prepared from the reaction of aniline and benzyl chloride in the presence of iodine and sodium acetate.
Purpose
1. Dye intermediates. Used to prepare dyes such as weakly acidic brilliant blue 5GM. 2. It is an important organic synthesis intermediate and can be used to synthesize penicillin and rubber; it is a curing agent for plastic curing and is mainly used to produce efficient and non-toxic vulcanization accelerators tetrabenzylthiuram disulfide (TBZTD) and dibenzylthiuram disulfide. Zinc thiocarbamate (ZBEC).
