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Bolling_Point:
|
379ºC at 760mmHg
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Vapor_Pressure:
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6.04E-06mmHg at 25°C
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More_Info:
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['1 . Appearance White 针状结晶。 ', '2 . Melting point（℃）154-156℃ ', '3 . Boiling point（ºC, 984×10-4kPa）100℃ ', '4 . Solubility Soluble in 氯仿；硝基苯； Ethanol ，稍Soluble in 热Water ，几乎Insoluble in Ethyl ether 。']
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|
LogP:
|
2.14940
|
|
Density:
|
1.34g/cm3
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 749 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :212 ', '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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Melting_Point:
|
154-158 °C(lit.)
|
|
Exact_Mass:
|
180.05300
|
|
MF:
|
C8H8N2O3
|
|
Refractive_Index:
|
1.617
|
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PSA:
|
74.92000
|
|
Flash_Point:
|
183ºC
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|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4707 ', '2 . Molar volume （m3/mol）1343 ', '3 . Parachor （902K）3664 ', '4 . Surface tension 553 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1866']
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|
FW:
|
180.16100
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