Physicochemical properties of Nimesulide
Density 1.5± 0.1g /cm3
Boiling point 442.0±55.0 °C at 760 mmHg
Melting point 140-146°C
Molecular formula C13H12N2O5S
Molecular weight 308.310
Flash point 221.1±31.5 °C
Accurate mass 308.046692
PSA 109.60000
LogP is 3.79
Appearance character yellow acicular crystal
Vapor pressure 0.0±1.1 mmHg at 25°C
Refractive index 1.638
Storage condition
Keep in a cool and dry environment
stability
It will not decompose when used and stored according to regulations.
Water soluble in: dimethylformamide
Molecular structure
1. Molar refractive index: 76.32
2. Molar volume (cm3/mol) : 212.3
3. Isotropic volume (90.2K) : 595.9
4. Surface tension (dyne/cm) : 62.0
5. Polarization (10-24cm3) : 30.25
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :1
3. Number of hydrogen bond receptors :6
4. Number of rotatable bonds :4
5. Number of tautomers: None
6. Topological molecular polar surface area 110
7. Number of heavy atoms :21
8. Surface charge :0
9. Complexity :450
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :1
more
1. Properties: Light brown crystal from ethanol, odorless and tasteless.
2. Density (g/mL,25/4℃) : 1.11
3. Relative vapor density (g/mL, air =1) : Unavailable
4. Melting point (ºC) : 143-144.5
5. Boiling point (ºC, atmospheric pressure) : Unavailable
6. Boiling point (ºC,5.2kPa) : Unavailable
7. Refractive index: Useless
8. Flash point (ºC) : Unavailable
9. Specific rotation (º) : Not available
10. Spontaneous ignition point or ignition temperature (ºC) : Not available
11. Vapor pressure (kPa,25ºC) : Unavailable
12. Saturated vapor pressure (kPa,60ºC) : Unavailable
13. Heat of combustion (KJ/mol) : Not useful
14. Critical temperature (ºC) : Unavailable
15. Critical pressure (KPa) : Not available
16. Pairs of oil-water (octanol/water) partition coefficients: not available
17. Upper explosion limit (%,V/V) : Unavailable
18. Lower Explosive limit (%,V/V) : Not useful
19. Solubility: Soluble in aqueous solution of chloroform, methylene chloride or sodium hydroxide.
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