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Refractive_Index:
|
1.612
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Flash_Point:
|
167.6±23.2 °C
|
|
LogP:
|
2.29
|
|
Bolling_Point:
|
353.4±25.0 °C at 760 mmHg
|
|
Water_Solubility:
|
难溶
|
|
PSA:
|
29.10000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4821 ', '2 . Molar volume 1387 ', '3 . Parachor （902K）3615 ', '4 . Surface tension 461 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1911']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 291 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :141 ', '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']
|
|
Melting_Point:
|
165-169 °C(lit.)
|
|
MF:
|
C8H8BrNO
|
|
Exact_Mass:
|
212.978912
|
|
FW:
|
214.059
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 浅Yellow 结晶or 粉末。 ', '2 . Density（g/mL,25/4℃）: 172 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） 168℃（先软化） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '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 苯氯仿and 乙酸乙酯，略Soluble in Ethanol ，微Soluble in 热Water ，几乎Insoluble in 冷Water 。']
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