Structural formula
Business number | 01KW |
---|---|
Molecular formula | C8H6N4O8 |
Molecular weight | 286.16 |
label |
double allamide, 5,5′-dihydroxy-5,5′-bis-1,3-hexacyclotetraone, Reduced oxalic acid diurea, Alloxan, 5,5′-Dihydroxy-5,5′-bipyrimidinehexaone, 5,5′-Dihydroxy-5,5′-dibarbituric acid5,5′-dihydroxy-5,5′-bibarbituric acid |
Numbering system
CAS number:76-24-4
MDL number:MFCD00042797
EINECS number:200-947-1
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: White crystalline powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 250
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 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in hot water, slightly soluble in cold water ethanol and ether. Aqueous solutions are acidic.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 52.10
2. Molar volume (cm3/mol): 140.5
3. Isotonic specific volume (90.2K ): 461.9
4. Surface tension (dyne/cm): 116.8
5. Polarizability (10-24cm3): 20.65
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): -4
2. Hydrogen bondingNumber of donors: 6
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 1
5. Tautomers Number: 15
6. Topological molecular polar surface area (TPSA): 191
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 503
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 0
14. The number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be kept sealed.
Synthesis method
None
Purpose
Verification and determination of iron.