Refractive_Index:
|
1.584
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
Flash_Point:
|
124.9±21.8 °C
|
LogP:
|
2.15
|
Bolling_Point:
|
282.8±20.0 °C at 760 mmHg
|
PSA:
|
33.02000
|
Molecular_Structure:
|
['1. Molar refractive index 454 ', '2. Molar volume 1356 ', '3. Parachor (902K)3626 ', '4. Surface tension 511 ', '5. Dielectric constant N/A ', '6. Polarizability 18 ', '7. Single isotope mass 210963269 Da ', '8. Nominal mass 211 Da ', '9. Average mass 2120433 Da']
|
Computational_Chemistry:
|
['1. XlogP :23 ', '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 33 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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:
|
122-124 °C(lit.)
|
MF:
|
C8H6BrNO
|
Exact_Mass:
|
210.963272
|
FW:
|
212.043
|
Density:
|
1.6±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)122-124 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)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(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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']
|