|
MF:
|
C7H5BrF2
|
|
Bolling_Point:
|
190.5±25.0 °C at 760 mmHg
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Exact_Mass:
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205.954269
|
|
More_Info:
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['1 . Appearance White Liquid ', '2 . Density（g/mL,25℃）1628 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）60-64 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，02mmHg）Unknow ', '7 . Refractive index(n20/D)1528 ', '8 . Flash point（ºC）90 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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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Flash_Point:
|
69.0±23.2 °C
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Refractive_Index:
|
1.523
|
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Density:
|
1.6±0.1 g/cm3
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|
Molecular_Structure:
|
['1. Molar refractive index 3888 ', '2. Molar volume 1273 ', '3. Parachor （902K）3104 ', '4. Surface tension 353 ', '5. Dielectric constant N/A ', '6. Polarizability 1541 ', '7. Single isotope mass 205954262 Da ', '8. Nominal mass 206 Da ', '9. Average mass 2070154 Da']
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|
Computational_Chemistry:
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['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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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|
FW:
|
207.015
|
|
LogP:
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2.93
|
|
Vapor_Pressure:
|
0.7±0.4 mmHg at 25°C
|
