|
Bolling_Point:
|
420.4±45.0 °C at 760 mmHg
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
LogP:
|
3.67
|
|
More_Info:
|
['1 . Appearance Colourless 结晶 ', '2 . Density（g/mL,20℃）154 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1998 ', '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（Pa,20ºC）39×10-7 ', '12 . Saturated vapor pressure（KPa,20ºC）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 06 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 25ºC，丙酮190mg/L甲醇44mg/L正Octanol 20mg/L甲苯27mg/L己烷00078mg/LWater 18mg/L']
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|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 58 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :382 ', '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']
|
|
Exact_Mass:
|
248.039734
|
|
MF:
|
C12H6F2N2O2
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Refractive_Index:
|
1.622
|
|
PSA:
|
58.04000
|
|
Flash_Point:
|
208.0±28.7 °C
|
|
Molecular_Structure:
|
['1. Molar refractive index 5625 ', '2. Molar volume 1597 ', '3. Parachor （902K）4486 ', '4. Surface tension 622 ', '5. Dielectric constant N/A ', '6. Polarizability 223 ', '7. Single isotope mass 248039734 Da ', '8. Nominal mass 248 Da ', '9. Average mass 248185 Da']
|
|
FW:
|
248.185
|
