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Vapor_Pressure:
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20.7mmHg at 25°C
|
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Flash_Point:
|
190°C
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|
LogP:
|
1.17750
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Bolling_Point:
|
190°C
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PSA:
|
52.04000
|
|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 111963603 Da ', '8. Nominal mass 112 Da ', '9. Average mass 1129571 Da']
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 52 ', '7. Heavy Atom Count :3 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :0 ', '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 :2']
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|
Melting_Point:
|
87-92 °C(lit.)
|
|
MF:
|
BrH5N2
|
|
Exact_Mass:
|
111.963600
|
|
FW:
|
112.957
|
|
More_Info:
|
['1 . Appearance Colourless 晶体 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）23 ', '4 . Melting point（ºC）87-92 ', '5 . Boiling point（ºC,Atmospheric pressure）190 ', '6 . Boiling point（ºC,52kPa）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（kPa,25ºC）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（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 Soluble in Water and 低级醇，Insoluble in 有机溶剂']
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