5,8-dihydroxy-1,4-naphthoquinone
structural formula
| business number | 0519 |
|---|---|
| molecular formula | c10h6o4 |
| molecular weight | 190.16 |
| label |
naxi, 1,4-dihydroxynaphthoquinone, 5,8-dihydroxy-1,4-naphthalenedione, naphthazarin |
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
