|
MF:
|
C13H9F3N2O2
|
|
Bolling_Point:
|
378.0±42.0 °C at 760 mmHg
|
|
Exact_Mass:
|
282.061615
|
|
More_Info:
|
['1 . Appearance 从 Ethanol 中得to 结晶。淡Yellow 结晶性粉末 ', '2 . Density（g/mL ,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）203-204 ', '5 . Boiling point（ºC,1mmHg）不确定 ', '6 . Boiling point（ºC,22mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 11 蒸汽压（ 20ºC ） 不确定 12 . Saturated vapor pressure（ kPa,60ºC ）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
|
|
Melting_Point:
|
203-204ºC
|
|
PSA:
|
62.22000
|
|
Flash_Point:
|
182.4±27.9 °C
|
|
Refractive_Index:
|
1.589
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6562 ', '2 . Molar volume （m3/mol）1943 ', '3 . Parachor （902K）5141 ', '4 . Surface tension 485 ', '5 . Polarizability （10 -24cm 3）2601']
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|
Computational_Chemistry:
|
['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :4 ', '6. TPSA 622 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :349 ', '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']
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|
FW:
|
282.218
|
|
LogP:
|
4.94
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
