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.
