|
FW:
|
212.117
|
|
MF:
|
C7H4N2O6
|
|
Water_Solubility:
|
1350 mg/L (25 ºC)
|
|
Refractive_Index:
|
1.658
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Bolling_Point:
|
395.5±32.0 °C at 760 mmHg
|
|
Exact_Mass:
|
212.006943
|
|
PSA:
|
128.94000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 129 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :271 ', '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 4627 ', '2 . Molar volume 1256 ', '3 . Parachor （902K）3803 ', '4 . Surface tension 839 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1834']
|
|
LogP:
|
1.69
|
|
Melting_Point:
|
204-206 °C(lit.)
|
|
Flash_Point:
|
179.2±13.6 °C
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 淡Yellow 单斜棱形结晶。 ', '2 . Density（g/mL,20℃）1683 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）204-206 ', '5 . Boiling point（ºC,Atmospheric pressure）300-303 ', '6 . Boiling point（ºC, 15996kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,202ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 易Soluble in 醇and 冰醋酸，微Soluble in Water 醚二硫化碳。']
|
