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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3883 ', '2 . Molar volume （m3/mol）1217 ', '3 . Parachor （902K）3007 ', '4 . Surface tension 372 ', '5 . Polarizability （10 -24cm 3）1539']
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LogP:
|
3.65
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Flash_Point:
|
78.2±21.8 °C
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|
Refractive_Index:
|
1.551
|
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FW:
|
209.443
|
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Density:
|
1.7±0.1 g/cm3
|
|
Bolling_Point:
|
205.7±20.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :991 ', '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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|
Exact_Mass:
|
207.909058
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（º186mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）29 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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 Unknow']
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Vapor_Pressure:
|
0.4±0.4 mmHg at 25°C
|
|
MF:
|
C6H3BrClF
|
