|
Refractive_Index:
|
1.617
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
116.4±22.6 °C
|
|
LogP:
|
1.19
|
|
Bolling_Point:
|
268.9±23.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.0005 g/100 mL
|
|
FW:
|
201.657
|
|
PSA:
|
62.73000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :5 ', '6. TPSA 627 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :131 ', '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:
|
225°C
|
|
MF:
|
C7H12ClN5
|
|
Exact_Mass:
|
201.078125
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4805 ', '2 . Molar volume 1511 ', '3 . Parachor （902K）4064 ', '4 . Surface tension 523 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1905']
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 纯品为White 结晶。 2 . Density（g/mL ,25/4℃）1302 ', '3 . Melting point（℃）226～227 ', '4 蒸汽压（kpa,20ºC）813×10-7 ', '5 . Solubility Insoluble in Water ，甲醇中的溶解度为400ppm微Soluble in 二氧六环and 乙二醇 Ethyl ether 。 ', '6 毒性对人畜毒性小 7 稳定性稳定']
|
