2,6-diaminoanthraquinone 2,6-diaminoanthraquinone
structural formula
| business number | 03mt |
|---|---|
| molecular formula | c14h10n2o2 |
| molecular weight | 238.24 |
| label |
aromatic compounds |
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.
