|
Water_Solubility:
|
1 g/L (60 ºC)
|
|
Bolling_Point:
|
323.0±37.0 °C at 760 mmHg
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4682 ', '2 . Molar volume 1274 ', '3 . Parachor （902K）3603 ', '4 . Surface tension 638 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1856']
|
|
LogP:
|
3.54
|
|
More_Info:
|
['1 . Appearance Yellow 针状结晶。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）189~190 ', '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（mmHg,202ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 难Soluble in Water ，易Soluble in Ethanol ，在丙酮氯仿乙酸乙酯中的溶解度分别为34%12%19%。']
|
|
MF:
|
C6H4Cl2N2O2
|
|
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 :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :173 ', '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:
|
187-192 ºC
|
|
Refractive_Index:
|
1.656
|
|
PSA:
|
71.84000
|
|
Flash_Point:
|
149.1±26.5 °C
|
|
FW:
|
207.014
|
|
Exact_Mass:
|
205.964981
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Density:
|
1.6±0.1 g/cm3
|
