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.