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.