1,4-diaminoanthraquinone 1,4-diaminoanthraquinone

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:128-95-0

mdl number:mfcd00001224

einecs number:204-922-6

rtecs number:cb6300000

brn number:2216556

pubchem number:24862847

physical property data

1. properties: dark purple crystal (in pyridine) or purple crystal.

2. melting point (℃): 268

3. solubility: soluble in benzene, pyridine, nitrobenzene, aniline, slightly soluble in hot acetic acid and ethanol. the solution in concentrated sulfuric acid is almost colorless, and becomes blue-red after adding boric acid.

toxicological data

1. skin/eye irritation: rabbit eye standard drez eye dye test: 500mg/24h has a slight irritating effect on the eyes.

2. acute toxicity: rat oral ld5o: 5790mg/kg

rat peritoneal ld5o: 250mg/kg

3. mutagenicity: salmonella gene mutation testing system: 100ug/plate

microbial gene mutation testing system: 12800ug/l

ecological data

none yet

molecular structure data

1. molar refractive index: 67.14

2. molar volume (cm³/mol): 163.6

3. isotonic specific volume (90.2k ): 490.7

4. surface tension (dyne/cm): 80.9

5. polarizability (10^-24cm³): 26.61

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.6

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: 8

6. topological molecule polar surface area 86.2

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 346

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

1.basic properties

dark purple needle-like crystals. melting point 268℃. soluble in ethanol, benzene and nitrobenzene, slightly soluble in water and hot acetic acid.

2.�body ld1~2g/kg. rats were intraperitoneally injected with ld100500mg/kg. see 1,5-diaminanthraquinone.
　

storage method

packed in iron drums lined with plastic bags, net weight per drum is 50kg. store in a ventilated place, protected from sun and moisture.

synthesis method

brief description of the production method

1,4-dihydroxyanthraquinone is obtained by condensation of hydroquinone and phthalic anhydride, and then ammoniated to obtain 1,4-diaminoanthraquinone leuco body, which is then oxidized with fuming sulfuric acid. raw material consumption quota: phthalic anhydride 2131kg/t, hydroquinone 887kg/t, ammonia (20%) 10788kg/t, oleum 3580kg/t.

purpose

mainly used to prepare anthraquinone series vat dyes, disperse dyes, acid dyes, etc., such as vat olive r, vat brown br, disperse violet h-frl, disperse emerald blue h-gl and other dyes. it can be used by itself as a disperse violet dye.