|
Bolling_Point:
|
280.1±23.0 °C at 760 mmHg
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
LogP:
|
4.03
|
|
More_Info:
|
['1 . Appearance 晶体 ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）56-60 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，5mmHg）144-145 ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）>110 ', '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 可Water 解的']
|
|
Computational_Chemistry:
|
['1 . XlogP 4 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 124 ', '7 . Heavy Atom Count 10 ', '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']
|
|
Melting_Point:
|
56-58 °C(lit.)
|
|
Exact_Mass:
|
212.924774
|
|
MF:
|
C7H4BrNS
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Refractive_Index:
|
1.622
|
|
PSA:
|
44.45000
|
|
Flash_Point:
|
123.2±22.6 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4371 ', '2 . Molar volume （m3/mol）1310 ', '3 . Parachor （902K）3387 ', '4 . Surface tension 446 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1733']
|
|
FW:
|
214.082
|
