Refractive_Index:
|
1.624
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
Flash_Point:
|
97.4±22.6 °C
|
LogP:
|
3.46
|
Bolling_Point:
|
237.4±23.0 °C at 760 mmHg
|
PSA:
|
25.30000
|
Molecular_Structure:
|
['1 . Molar refractive index 4711 ', '2 . Molar volume 1333 ', '3 . Parachor (902K)3471 ', '4 . Surface tension 458 ', '5 . Polarizability 1867 ', '6 . Dielectric constant 未确定']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 253 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :85 ', '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']
|
MF:
|
C7H7BrS
|
Exact_Mass:
|
201.945175
|
FW:
|
203.100
|
Density:
|
1.5±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Colourless Liquid ,有恶臭气味 ', '2 . Density(g/mLat 25°C)151 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,10mmHg)124-125 ', '7 . Refractive index(n20/D)1628 ', '8 . Flash point(ºC)110 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,37ºC)Unknow ', '12 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)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']
|