|
Refractive_Index:
|
1.649
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
118.1±22.6 °C
|
|
LogP:
|
1.64
|
|
Bolling_Point:
|
271.7±23.0 °C at 760 mmHg
|
|
PSA:
|
55.12000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4432 ', '2 . Molar volume 1216 ', '3 . Parachor （902K）3361 ', '4 . Surface tension 583 ', '5 . Polarizability 1757']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 551 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :143 ', '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:
|
204-205ºC
|
|
MF:
|
C7H7ClN2O
|
|
Exact_Mass:
|
170.024689
|
|
FW:
|
170.596
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless 结晶 ', '2 . Melting point（ºC，分解）210 ', '3 . Boiling point（ºC,Atmospheric pressure）Unknow ', '4 . Vapor pressure（kPa,25ºC）Unknow ', '5 . Upper limit of explosion（%,V/V）Unknow ', '6 . Lower limit of explosion（%,V/V）Unknow ', '7 . Solubility Insoluble in Water ，可Soluble in Ethanol 。']
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