|
Refractive_Index:
|
1.672
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
129.7±22.6 °C
|
|
LogP:
|
1.98
|
|
Bolling_Point:
|
290.9±23.0 °C at 760 mmHg
|
|
PSA:
|
55.12000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4711 ', '2 . Molar volume （m3/mol）1258 ', '3 . Parachor （902K）3507 ', '4 . Surface tension 603 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1867']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 551 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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:
|
225-227ºC
|
|
MF:
|
C7H7BrN2O
|
|
Exact_Mass:
|
213.974167
|
|
FW:
|
215.047
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）225-227 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，01mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
|
