|
Refractive_Index:
|
1.646
|
|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
|
|
Flash_Point:
|
328.0±31.5 °C
|
|
LogP:
|
3.37
|
|
Bolling_Point:
|
618.8±55.0 °C at 760 mmHg
|
|
PSA:
|
66.00000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 11307 ', '2 . Molar volume 3115 ', '3 . Parachor （902K）8866 ', '4 . Surface tension 656 ', '5 . Polarizability 4482']
|
|
Computational_Chemistry:
|
['1. XlogP :41 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 609 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :392 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :3 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
110 °C
|
|
MF:
|
C12H15Br6N3O3
|
|
Exact_Mass:
|
722.621338
|
|
FW:
|
728.690
|
|
Density:
|
2.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶粉末 ', '2 . Density（g/mL,20ºC）250 ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）110 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，001mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）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 可Soluble in 苯甲苯丙酮等有机溶剂，微Soluble in 甲醇，Insoluble in Water 。 20 分解温度219℃']
|
