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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4485 ', '2 . Molar volume （m3/mol）1361 ', '3 . Parachor （902K）3473 ', '4 . Surface tension 424 ', '5 . Polarizability （10 -24cm 3）1778']
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Flash_Point:
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129.5±25.9 °C
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Refractive_Index:
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1.573
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FW:
|
220.039
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Density:
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1.6±0.1 g/cm3
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Bolling_Point:
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290.6±35.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :2 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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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LogP:
|
2.10
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|
Melting_Point:
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70-73ºC
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|
PSA:
|
35.25000
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|
MF:
|
C7H7BrFNO
|
|
More_Info:
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['1 . Appearance 灰Yellow 晶体粉末 ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）70-73 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（º186mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º F）Unknow ', '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 不能溶解于Water ']
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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|
Exact_Mass:
|
218.969498
|
