4,4′-bis(diethylamino)benzophenone

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:90-93-7

mdl number:mfcd00009044

einecs number:202-025-4

rtecs number:os9545500

brn number:2148611

pubchem number:24848832

physical property data

1. properties: yellow fine leaf-like crystals

2. density (g/ml, 25/4℃): undetermined

3. relative steam density ( g/ml, air = 1): undetermined

4. melting point (ºc): 96.5

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): not determined

7. refractive index: undetermined

8. flash point (ºc): 151

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. the upper limit of explosion (%, v/v): undetermined

18. the lower limit of explosion (%, v/v): undetermined

19. solubility: soluble in ethanol.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 103.20

2. molar volume (cm³/mol): 309.5

3. isotonic specific volume (90.2k ): 790.0

4. surface tension (dyne/cm): 42.4

5. polarizability (10-24cm3): 40.91

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: 3

4. number of rotatable chemical bonds: 8

5. number of tautomers: none

6. topological molecule polar surface area 23.6

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 326

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain chemical bond stereocenters quantity: 0

15. quantity of covalent bond units: 1

properties and stability

none

storage method

this product should be kept sealed.

synthesis method

it is obtained by the reaction of n,n-diethylaniline and phosgene, and can also be synthesized by oxidation method.

purpose

it is mainly used to synthesize triarylmethane dyes, such as basic brilliant blue bo; it can also be used as a photosensitizer in the film industry; as a special optical material in the microelectronics industry; and it can also be used as a rubber cross-linking agent.