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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 8068 ', '2 . Molar volume （m3/mol）2161 ', '3 . Parachor （902K）5892 ', '4 . Surface tension 552 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 3198']
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Flash_Point:
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255.0±26.5 °C
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Refractive_Index:
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1.669
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FW:
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336.204
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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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498.0±37.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 474 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :414 ', '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:
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4.48
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Melting_Point:
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122-126 °C(lit.)
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PSA:
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47.45000
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MF:
|
C14H10BrNO2S
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|
More_Info:
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['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）122-126 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 Unknow']
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Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
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|
Exact_Mass:
|
334.961548
|
