|
FW:
|
203.008
|
|
MF:
|
C7H4BrFO
|
|
Water_Solubility:
|
INSOLUBLE
|
|
Refractive_Index:
|
1.585
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Bolling_Point:
|
241.4±25.0 °C at 760 mmHg
|
|
Exact_Mass:
|
201.942947
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1. XlogP :22 ', '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 171 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4068 ', '2 . Molar volume （m3/mol）1214 ', '3 . Parachor （902K）3099 ', '4 . Surface tension 423 ', '5 . Polarizability 1613 ', ' 1 性状淡黄/褐色粉块 ', ' 2 熔点（℃）59-64 ', ' 3 沸点（ºC,19mmHg） 42 ', ' 4 溶解性 不溶于水。']
|
|
LogP:
|
2.71
|
|
Melting_Point:
|
59-64 °C
|
|
Flash_Point:
|
99.8±23.2 °C
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 淡黄/褐色粉块 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）58-62 ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Water 不溶']
|
