Density 1.8±0.1 g/cm3
Melting point 268°C
Molecular formula C8H6N4O5
Molecular weight 238.157
Accurate quality 238.033813
PSA 120.73000
LogP -0.40
Appearance: Lemon yellow crystalline powder
Refractive index 1.745
Storage conditions
This product should be sealed and stored in a cool and dark place.
Stability Stability Stable, but light-sensitive. Combustible. Incompatible with strong oxidizing agents, strong alkalies, strong acids. Decomposes upon contact with most metals other than stainless steel and aluminium.
Water solubility <0.01 g/100 mL at 19 ºC
Molecular Structure
1. Molar refractive index: 53.13
2. Molar volume (m3/mol): 131.0
3. Isotonic specific volume (90.2K): 403.2
4. Surface tension (dyne/cm): 89.5
5. Polarizability (10-24cm3): 21.06
Computational Chemistry
1. Hydrophobic parameter calculation reference value (XlogP): none
2. Number of hydrogen bond donors: 1
3.Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 5
6. Polar surface area of topological molecules 121
7. Number of heavy atoms: 17
8.Surface charge: 0
9. Complexity: 390
10. Number of isotope atoms: 0
11.Determine the number of atomic stereo centers: 0
12. Uncertain the number of atomic stereo centers: 0
13.Determine the number of chemical bond stereo centers: 1
14. Uncertain the number of chemical bond stereo centers: 0
15.Number of covalent bond units: 1
More
1. Properties: orange-yellow needle-like crystals, the color becomes darker when exposed to light, odorless, and bitter in taste
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air=1): not sure
4. Melting point (ºC): 270 -272 (decomposition).
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: uncertain
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Auto-ignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. The logarithm of the partition coefficient of oil and water (octanol/water): uncertain
17. Upper explosion limit (%, V/V): Uncertain
18. Lower explosion limit (%,V/V): Uncertain
19. Solubility: the number of milligrams soluble in 100ml of the following solvents: water 19.0, 95% ethanol 51.0, acetone 510, DMF8000. Almost insoluble in chloroform