|
MF:
|
C7H2Cl3NS
|
|
Bolling_Point:
|
324.1ºC at 760mmHg
|
|
Exact_Mass:
|
236.89700
|
|
More_Info:
|
['1 . Appearance 灰Yellow 晶体 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）72-75 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow 13 . Combustion heat（ KJ/mol ）Unknow 14 . Critical temperature（oC）Unknow ', '14 . Critical pressure（KPa）Unknow 15 . 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 可Water 解']
|
|
Melting_Point:
|
72-75 °C(lit.)
|
|
PSA:
|
44.45000
|
|
Flash_Point:
|
149.8ºC
|
|
Refractive_Index:
|
1.633
|
|
Density:
|
1.5g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 5643 ', '2 . Molar volume （m3/mol）1580 ', '3 . Parachor （902K）4049 ', '4 . Surface tension 431 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2237']
|
|
Computational_Chemistry:
|
['1. XlogP :52 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :193 ', '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']
|
|
FW:
|
238.52100
|
|
LogP:
|
4.38110
|
|
Vapor_Pressure:
|
0.000475mmHg at 25°C
|
