|
MF:
|
C6H4BF3O2
|
|
Bolling_Point:
|
263.6±50.0 °C at 760 mmHg
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|
Exact_Mass:
|
176.025650
|
|
More_Info:
|
['1 . Appearance White Solid ', '2 . Density（g/mL,25/4℃）1，087 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）275-279 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1，423—1，425 ', '8 . Flash pointUnknow ', '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 不可Soluble in Water ']
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|
Melting_Point:
|
290-295 °C(lit.)
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PSA:
|
40.46000
|
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Flash_Point:
|
113.2±30.1 °C
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Refractive_Index:
|
1.465
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 3362 ', '2. Molar volume 1215 ', '3. Parachor （902K）2937 ', '4. Surface tension 34 ', '5. Dielectric constant N/A ', '6. Polarizability 1333 ', '7. Single isotope mass 176025645 Da ', '8. Nominal mass 176 Da ', '9. Average mass 175901 Da']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :146 ', '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:
|
175.901
|
|
LogP:
|
1.60
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
