|
FW:
|
112.087
|
|
MF:
|
C4H4N2O2
|
|
Water_Solubility:
|
6 g/L
|
|
Refractive_Index:
|
1.640
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
|
Bolling_Point:
|
477.2±25.0 °C at 760 mmHg
|
|
Exact_Mass:
|
112.027275
|
|
PSA:
|
65.72000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 582 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2619 ', '2 . Molar volume 727 ', '3 . Parachor （902K）2255 ', '4 . Surface tension 925 ', '5 . Polarizability 1038']
|
|
LogP:
|
-0.14
|
|
Melting_Point:
|
306-308 ºC
|
|
Flash_Point:
|
242.4±23.2 °C
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶 ', '2分解温度（℃）260 ', '3. Melting point（℃）296～298 ', '4. Density（g/mL,25℃）160 ', '5 . Solubility 25℃时在Water 中溶解度约为06%，在 Ethanol 中溶解度为01%，在二甲基甲酰胺中为24%。其钠钾and 铵盐及有机磷酸盐类易Soluble in Water 。加热to 260℃开始分解。Soluble in 热Water ，稍Soluble in 热 Ethanol 。']
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