Refractive_Index:
|
1.559
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
Flash_Point:
|
222.0±28.7 °C
|
LogP:
|
5.16
|
Bolling_Point:
|
443.5±45.0 °C at 760 mmHg
|
PSA:
|
37.95000
|
Molecular_Structure:
|
['1. Molar refractive index 8595 ', '2. Molar volume 2662 ', '3. Parachor (902K)6646 ', '4. Surface tension 388 ', '5. Dielectric constant N/A ', '6. Polarizability 3407 ', '7. Single isotope mass 40596953 Da ', '8. Nominal mass 406 Da ', '9. Average mass 4076128 Da']
|
Computational_Chemistry:
|
['1. XlogP :45 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 38 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :448 ', '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:
|
100.5ºC
|
MF:
|
C15H11BrClF3N2O
|
Exact_Mass:
|
405.969543
|
FW:
|
407.613
|
Density:
|
1.5±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 有卤化物气味的White to 亮棕色 ', '2 . Density(g/mL,20℃)153 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)91~92 ', '5 . Boiling point(ºC,Atmospheric pressure)444 ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)222 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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 07 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Water 012mg/L']
|