|
Bolling_Point:
|
314.2±52.0 °C at 760 mmHg
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|
LogP:
|
1.85
|
|
More_Info:
|
['1 . Appearance White 晶体。 ', '2 . Density（g/mL,20℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）178 ', '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）133×10-2 ', '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 Insoluble in Water ，微Soluble in Ethanol ，Soluble in 四氯甲烷氯仿二甲苯环己酮and 二氯乙烷。']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 627 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :340 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Melting_Point:
|
178°C
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Exact_Mass:
|
298.934143
|
|
MF:
|
C9H8Cl3NO2S
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Refractive_Index:
|
1.636
|
|
PSA:
|
62.68000
|
|
Flash_Point:
|
143.8±30.7 °C
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6613 ', '2 . Molar volume 1844 ', '3 . Parachor （902K）5170 ', '4 表面张力（30 dyne/cm）618 ', '5 . Polarizability （05 10-24cm3）2621']
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|
FW:
|
300.589
|
