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.