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Refractive_Index:
|
1.581
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Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Flash_Point:
|
231.8±28.7 °C
|
|
LogP:
|
5.91
|
|
Bolling_Point:
|
459.6±45.0 °C at 760 mmHg
|
|
PSA:
|
94.88000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 9264 ', '2 . Molar volume 2779 ', '3 . Parachor （902K）7323 ', '4 . Surface tension 481 ', '5 . Polarizability 3672']
|
|
Computational_Chemistry:
|
['1. XlogP :52 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 949 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :548 ', '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:
|
>100ºC
|
|
MF:
|
C16H12ClF4N3O4
|
|
Exact_Mass:
|
421.045258
|
|
FW:
|
421.731
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 黄or 橘Yellow 结晶Solid 。 ', '2 . Density（g/mL,20℃）155 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）101～103 ', '5 . Boiling point（ºC）不确定 ', '6 . Refractive index不确定 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）<133×10-5 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 常温下溶解度二氯甲烷>80%，甲醇25%，苯55%，己烷13%，<01g/mL。>250℃分解。']
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