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Molecular_Structure:
|
['1. Molar refractive index 3601 ', '2. Molar volume 894 ', '3. Parachor （902K）2557 ', '4. Surface tension 668 ', '5. Dielectric constant N/A ', '6. Polarizability 1427 ', '7. Single isotope mass 135043262 Da ', '8. Nominal mass 135 Da ', '9. Average mass 1351234 Da']
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|
Flash_Point:
|
162.2±23.2 °C
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|
Refractive_Index:
|
1.739
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FW:
|
135.123
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
344.6±25.0 °C at 760 mmHg
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Melting_Point:
|
155-158 °C(lit.)
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 519 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :130 ', '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 :2']
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|
LogP:
|
0.69
|
|
Water_Solubility:
|
slightly soluble
|
|
PSA:
|
50.94000
|
|
MF:
|
C6H5N3O
|
|
More_Info:
|
['1 . Appearance White to 米色晶体粉末 ', '2 . Density（g/mL,20℃）1065 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）155-158 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 微Soluble in Water ，二甲基甲酰胺100mg/ml']
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
135.043259
|
