5,8-dihydroxy-1,4-naphthoquinone

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:475-38-7

mdl number:mfcd00001685

einecs number:207-495-4

rtecs number:ql7970000

brn number:880561

pubchem number:24851613

physical property data

1. character:undetermined

2. density (g/ m³,25/4℃): undetermined

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc):220-230

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index : undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (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. oil and water (octanol/water) logarithmic value of the partition coefficient: undetermined

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

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

19. solubility: undetermined

toxicological data

mutagenicity data: microbial organismstestsystemic mutation: bacteria–salmonella typhimurium:100ug/tablet

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1、 molar refractive index:46.66

2、 molar volume（m³/mol)：119.4

3、 isotonic specific volume (90.2k): 360.9

4、 surface tension（dyne/cm)：83.5

5、 polarizability(10^-24cm³）：18.50

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.8

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: 6

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 277

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

use and store according to specifications, will not decompose, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none

purpose

none