|
Bolling_Point:
|
358.3±52.0 °C at 760 mmHg
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|
LogP:
|
2.68
|
|
More_Info:
|
['1 . Appearance White or 浅棕色粉末 ', '2 . Density（g/mL, 20 ℃ ） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-47 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 02mmHg）77-90 ', '7 . Refractive index ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 在Water 中反应']
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|
Computational_Chemistry:
|
['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 101 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :561 ', '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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|
Melting_Point:
|
45-47 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
391.912689
|
|
MF:
|
C7H3ClF6N2O4S2
|
|
Density:
|
1.9±0.1 g/cm3
|
|
Refractive_Index:
|
1.499
|
|
PSA:
|
101.17000
|
|
Flash_Point:
|
170.5±30.7 °C
|
|
Molecular_Structure:
|
['1. Molar refractive index 6088 ', '2. Molar volume 2074 ', '3. Parachor （902K）5529 ', '4. Surface tension 504 ', '5. Dielectric constant N/A ', '6. Polarizability 2413 ', '7. Single isotope mass 391912693 Da ', '8. Nominal mass 392 Da ', '9. Average mass 3926831 Da']
|
|
FW:
|
392.683
|
