N,N-dibenzylaniline

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: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).