2,6-dihydroxyanthraquinone anthraflavic acid

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:84-60-6

mdl number:mfcd00001228

einecs number:201-544-3

rtecs number:cb6675000

brn number:none

pubchem number:24891386

physical property data

1. characteristics: undetermined.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 360 ^d

5. boiling point (ºc, normal pressure): undetermined

6. boiling point ( ºc, 5.2kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation degree (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc) : undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined .

toxicological data

1. acute toxicity:

mouse intravenous ld50: 180mg/kg;

2. teratogenicity

salmonella: 100 ug/plate;

ecological data

none yet

molecular structure data

1. molar refractive index: 62.43

2. molar volume (cm³/mol): 155.9

3. isotonic specific volume (90.2k): 465.2

4. surface tension (dyne/cm): 79.2

5. polarizability (10^-24cm³): 24.74

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.2

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 74.6

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 342

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be sealed and stored in a cool place. store in a dry and ventilated place. should be protected from sun and moisture.

synthesis method

none yet

purpose

none yet