|
Refractive_Index:
|
1.677
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
208.1±28.7 °C
|
|
LogP:
|
2.94
|
|
Bolling_Point:
|
420.5±45.0 °C at 760 mmHg
|
|
Water_Solubility:
|
420 mg/L
|
|
PSA:
|
76.21000
|
|
Molecular_Structure:
|
['1. Molar refractive index 5019 ', '2. Molar volume 1333 ', '3. Parachor （902K）3969 ', '4. Surface tension 786 ', '5. Dielectric constant N/A ', '6. Polarizability 1989 ', '7. Single isotope mass 23992601Da ', '8. Nominal mass 240Da ', '9. Average mass 2414592Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 22 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 762 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 216 ', '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:
|
200 °C (dec.)(lit.)
|
|
MF:
|
C6H3Cl3N2O2
|
|
Exact_Mass:
|
239.926010
|
|
FW:
|
241.459
|
|
Density:
|
1.8±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 粉末or 浅褐色颗粒 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）218-219 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,40ºC）0499×10-3 ', '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 微Soluble in Water 的']
|
