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