1,5-dihydroxy-4,8-dinitroanthraquinone 1,5-dihydroxy-4,8-dinitroanthraquinone

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:128-91-6

mdl number:mfcd00035827

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 75.52

2. molar volume (cm³/mol): 179.6

3. isotonic specific volume (90.2k ): 579.4

4. surface tension (dyne/cm): 108.2

5. polarizability (10^-24cm³): 29.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 0

5. number of tautomers: 10

6. topological molecule polar surface area 166

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 545

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

has a pungent odor.

storage method

sealed iron drum packaging

synthesis method

it is produced by the interaction between 1,5-dichloroanthraquinone and phenol, followed by nitrification and hydrolysis. first add sodium hydroxide and phenol into the reaction kettle, and heat to 130~150°c to completely dissolve them. cool to 120°c, add 1,5-dichloroanthraquinone, react at 145~155°c to the end point, and obtain 1,5-diphenoxyanthraquinone through distillation, filtration, water washing and drying. then, add mixed acid and 1,5-diphenoxyanthraquinone into the nitrating kettle and perform nitration at 40°c to obtain 1,5-(2,4-dinitrophenoxy)-4,8-dinitroanthracene. quinone. add water and the nitrate obtained above to the hydrolysis kettle, stir evenly, adjust the volume, add 30% solution, raise the temperature to 95°c, keep it warm for 30 minutes, cool it below 50°c, filter, and wash with 3% sodium hydroxide solution until washed. no precipitation occurs after liquid acid precipitation. the filter cake is the finished product 1,5-dihydroxy-4,8-dinitroanthraquinone. the filtrate is subjected to acid precipitation and filtration to obtain 2,4-dinitrophenol.

purpose

dye intermediates. used to manufacture disperse blue 2bln dye, etc.