2,6-diaminoanthraquinone 2,6-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:131-14-6

mdl number:mfcd00001234

einecs number:205-013-7

rtecs number:cb6450000

brn number:none

pubchem number:24893375

physical property data

1. properties: reddish-brown prisms (in hot pyridine aqueous solution)

2. melting point (decomposition, ℃): >325

3. solubility: insoluble in cold water, slightly soluble in hot water, soluble in hot ethanol, insoluble in chloroform and xylene.

toxicological data

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

2. mutagenicity: salmonella gene mutation: 100ug/plate

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): 1.5

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: 15

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

none yet

storage method

none yet

synthesis method

the ammoniation method is mainly used. the crude product is obtained by ammoniation reaction between anthraquinone-2,6-disulfonate ammonium salt and ammonia water, which is then filtered and dried. raw material consumption quota: anthraquinone-2,6-disulfonate ammonium salt (95%) 3381kg/t, 20% ammonia 2150kg/t.

purpose

dye intermediates, mainly used to prepare vat dyes such as vat yellow gcn.