4,4′-Tetramethyldiaminobenzophenone

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:90-94-8

MDL number:MFCD00008312

EINECS number:202-027-5

RTECS number:DJ0250000

BRN number:790733

PubChem number:24885973

Physical property data

1. Characteristics: white to green fronds or needle-like crystals.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 172

5. Boiling point (decomposition, ºC): >360

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 220

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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in hot benzene, insoluble in water, slightly soluble in Ethanol and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 84.67

2. Molar volume (cm³/mol): 243.5

3. Isotonic specific volume (90.2K ): 630.9

4. Surface tension (dyne/cm): 45.0

5. Polarizability (10^-24cm³): 33.56

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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 23.6

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 281

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

Poisonous. Stimulates the skin, causes dermatitis, blood poisoning, and can cause central nervous system paralysis. The production equipment is required to be airtight, the workshop is well ventilated, and the operators are required to wear protective equipment. This product is flammable and can burn when exposed to open flames. It can emit toxic gases when exposed to high heat. In the event of a fire, mist water, foam, carbon dioxide, and sand should be used to extinguish the fire.
　

Storage method

This product should be stored in a sealed, cool, dry place.

The product is sealed and packaged in an iron drum, and the packaging should be clearly marked with the words “containing drugs”. It is classified as organic and contains drugs, and the dangerous regulation number is 84112. Store in a cool, dry and ventilated warehouse. Fireworks are strictly prohibited in the warehouse. It should be stored separately from oxidants and edible chemical raw materials. Store and transport according to regulations for flammable and toxic substances.

Synthesis method

Originated from the condensation of N,N-dimethylaniline and phosgene.

Purpose

Michel’s ketone is an important intermediate for basic dyes and is used in the production of basic brilliant blue B, basic brilliant blue R, etc.