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Refractive_Index:
|
1.705
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Flash_Point:
|
167.8±20.4 °C
|
|
LogP:
|
3.48
|
|
Bolling_Point:
|
353.8±15.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5366 ', '2 . Molar volume 1381 ', '3 . Parachor （902K）3766 ', '4 . Surface tension 552 ', '5 . Polarizability 2127 ', ' 6 熔点127-128℃， ', ' 7 沸点200-205℃（0267kPa），']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 202 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '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:
|
122-124 °C(lit.)
|
|
MF:
|
C10H7BrO
|
|
Exact_Mass:
|
221.968018
|
|
FW:
|
223.066
|
|
Density:
|
1.6±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 针状结晶。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）127 ', '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 Ethanol Ethyl ether and 苯，Insoluble in Water 。']
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