|
MF:
|
C10H12ClN5O4
|
|
Bolling_Point:
|
729.9±70.0 °C at 760 mmHg
|
|
Exact_Mass:
|
301.057770
|
|
More_Info:
|
['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）166-167 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，08mmHg）Unknow ', '7 . Refractive index-38 ° (C=01, H2O) ', '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,110ºC）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 Unknow']
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|
Melting_Point:
|
165-167 °C (dec.)(lit.)
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|
PSA:
|
139.54000
|
|
Flash_Point:
|
395.2±35.7 °C
|
|
Computational_Chemistry:
|
['1 . XlogP -01 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 140 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 367 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 4 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Density:
|
2.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 6455 ', '2. Molar volume 1374 ', '3. Parachor （902K）4416 ', '4. Surface tension 1065 ', '5. Dielectric constant N/A ', '6. Polarizability 2559 ', '7. Single isotope mass 301057782Da ', '8. Nominal mass 301Da ', '9. Average mass 3016864Da']
|
|
Vapor_Pressure:
|
0.0±2.5 mmHg at 25°C
|
|
FW:
|
301.686
|
|
LogP:
|
-0.59
|
|
Refractive_Index:
|
1.912
|
