|
Bolling_Point:
|
438.2±20.0 °C at 760 mmHg
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|
LogP:
|
0.95
|
|
More_Info:
|
['1 . Appearance 橙红色to 褐色无定性粉末 2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC）187 5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,4mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC,06mm）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 微Soluble in Water ，Soluble in Ethanol and 醚，易Soluble in 酸性及碱性Water 溶液']
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Computational_Chemistry:
|
['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 15 ', '6 . TPSA 746 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 371 ', '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 1 ', '15 . Covalently-Bonded Unit Count 1']
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|
Melting_Point:
|
192-202 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
215.069473
|
|
MF:
|
C11H9N3O2
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Refractive_Index:
|
1.652
|
|
PSA:
|
78.07000
|
|
Flash_Point:
|
218.8±21.8 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5900 ', '2 . Molar volume 1613 ', '3 . Parachor （902K）4400 ', '4 . Surface tension : 553 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2339']
|
|
FW:
|
215.208
|
