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Refractive_Index:
|
1.595
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Flash_Point:
|
170.8±25.7 °C
|
|
LogP:
|
1.89
|
|
Bolling_Point:
|
358.8±34.0 °C at 760 mmHg
|
|
PSA:
|
32.34000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5377 ', '2 . Molar volume （m3/mol）1582 ', '3 . Parachor （902K）4123 ', '4 . Surface tension 461 ', '5 . Polarizability 2131']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 323 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :177 ', '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']
|
|
Melting_Point:
|
173-174 °C(lit.)
|
|
MF:
|
C9H11ClN2O
|
|
Exact_Mass:
|
198.055984
|
|
FW:
|
198.649
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1. Appearance White 鳞状晶体 ', '2. Melting point（℃）173-174 ', '3. Density（g/mL,20℃）127 ', '4. Saturated vapor pressure（kPa,100ºC）266×10-4 ', '5. Solubility Insoluble in Water ，难Soluble in Ethanol 苯等有机溶剂，易Soluble in 卤代烷。']
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