2,5-dihydroxy-3,6-dinitro-1,4-benzoquinone
structural formula
| business number | 051l |
|---|---|
| molecular formula | c6h2n2o8.6h2o |
| molecular weight | 230.09 |
| label |
none |
numbering system
cas number:479-22-1
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character:undetermined
2. density (g/ m3,25/4℃): undetermined
3. relative steam density (g/cm3,air=1): undetermined
4. melting point (ºc): undetermined
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/log value of water) partition coefficient: undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: undetermined
toxicological data
none
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:42.06
2、 molar volume（m3/mol)：109.5
3、 isotonic specific volume (90.2k):363.0
4、 surface tension（dyne/cm)：120.6
5、 polarizability(10-24cm3）：16.67
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.9
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 0
5. number of tautomers: 7
6. topological molecule polar surface area 166
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 442
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, no decomposition will occur, 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
