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.