|
MF:
|
C10H8N2O2
|
|
Bolling_Point:
|
419.0±25.0 °C at 760 mmHg
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|
Exact_Mass:
|
188.058578
|
|
More_Info:
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['1 . Appearance 橙Yellow 针状结晶 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）196℃ ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（kPa,25ºC）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 Soluble in Ethanol and 乙酸，微Soluble in 热Water ']
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Melting_Point:
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190-193 °C(lit.)
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PSA:
|
71.84000
|
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Flash_Point:
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207.2±23.2 °C
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|
Refractive_Index:
|
1.729
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5265 ', '2 . Molar volume （m3/mol）1452 ', '3 . Parachor （902K）3955 ', '4 . Surface tension 549 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2087']
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 718 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :227 ', '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']
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|
FW:
|
188.183
|
|
LogP:
|
2.62
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
