|
FW:
|
356.052
|
|
Refractive_Index:
|
1.741
|
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Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
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|
Flash_Point:
|
222.8±28.7 °C
|
|
LogP:
|
5.51
|
|
Bolling_Point:
|
444.7±45.0 °C at 760 mmHg
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More_Info:
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['1 . Appearance White 结晶性粉末。 ', '2 相对 . Density(g/mL,20℃)173 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)1855~1865 ', '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 Insoluble in Water ,易Soluble in Ethanol 丙酮 Ethyl ether 等。']
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|
Computational_Chemistry:
|
['1. XlogP :58 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 658 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :282 ', '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:
|
188°C
|
|
MF:
|
C12H6Cl4O2S
|
|
Exact_Mass:
|
353.884247
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 8184 ', '2 . Molar volume 2027 ', '3 . Parachor (902K)6088 ', '4 . Surface tension 813 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', ' 7 . Polarizability 3244']
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|
Density:
|
1.8±0.1 g/cm3
|
|
PSA:
|
65.76000
|