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.