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Molecular_Structure:
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['1 . Molar refractive index 4786 ', '2 . Molar volume 1231 ', '3 . Parachor （902K）3549 ', '4 . Surface tension 688 ', '5 . Polarizability 1897 ', '6 . Dielectric constant 未确定']
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Flash_Point:
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152.3±26.5 °C
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|
Refractive_Index:
|
1.705
|
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FW:
|
244.033
|
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Density:
|
2.0±0.1 g/cm3
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Bolling_Point:
|
328.3±37.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 498 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '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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|
LogP:
|
2.49
|
|
Melting_Point:
|
112-115ºC(lit.)
|
|
PSA:
|
49.81000
|
|
MF:
|
C7H5IN2
|
|
More_Info:
|
['1 . Appearance 褐色结晶 ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）112-115 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
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|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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|
Exact_Mass:
|
243.949738
|
