Refractive_Index:
|
1.601
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Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
Flash_Point:
|
166.6±22.3 °C
|
LogP:
|
1.69
|
Bolling_Point:
|
351.8±22.0 °C at 760 mmHg
|
Water_Solubility:
|
Slightly soluble.
|
PSA:
|
81.07000
|
Molecular_Structure:
|
['1 . Molar refractive index 4371 ', '2 . Molar volume 1275 ', '3 . Parachor (902K)3452 ', '4 . Surface tension 536 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1732']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 811 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :169 ', '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']
|
Melting_Point:
|
117-119 °C(lit.)
|
MF:
|
C7H8N2O3
|
Exact_Mass:
|
168.053497
|
FW:
|
168.150
|
Density:
|
1.3±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 橙红色针状晶体。 ', '2 . Density(g/mL,20℃)12068 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)117-119 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, kPa)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 丙酮甲醇 Ethanol 苯乙酸乙酯等。Insoluble in 石油醚。']
|