(S)-4-Phenyloxazolidin-2-one CAS99395-88-7

Details:

Physicochemical properties of (S)-(+) -4-phenyl-2-oxazolidinone

The density was 1.2± 0.1g /cm3

The boiling point was 407.0±25.0 °C at 760 mmHg

The melting point was 130-133ºC

The molecular formula is C9H9NO2

Its molecular weight was 163.173

The flash point was 200.0±23.2 °C

Exact mass 163.063324

PSA was 38.33000

LogP 1.39

Appearance White crystalline powder

The vapor pressure was 0.0±0.9 mmHg at 25°C

The refractive index was 1.548

Storage conditions

Seal storage, store in a cool, dry warehouse. Stay away from oxidizing agents. Commonly used inert gas protection.

 

stability

Stable at room temperature and pressure, avoid contact with strong oxidants.

 

Water soluble: insoluble; Soluble in: chloroform, methanol

Computational chemistry

1. Reference value of hydrophobic parameters (XlogP) :1.2

 

2. Number of hydrogen bond donors :1

 

3. Number of hydrogen bond acceptors :2

 

4. Number of rotatable chemical bonds :1

 

5. Number of tautomers :2

 

6. Polar surface area of topological molecules 38.3

 

7. Number of heavy atoms :12

 

8. Surface charge :0

 

9. Complexity :175

 

10. Number of isotope atoms :0

 

11. Determine the number of atomic structuring centers :1

 

12. The number of uncertain atomic construction centers :0

 

13. Determine the number of chemical bond formation centers :0

 

14. The number of uncertain chemical bond formation centers :0

 

15. Number of covalent bond units :1

 

More

1. Properties: White crystalline powder

 

2. Density (g/mL,20℃) : not determined

 

3. Relative vapor density (g/mL, air =1) : Not determined

 

4. Melting point (ºC) : 129-132

 

5. Boiling point (ºC, normal pressure) : not determined

 

6. Boiling point (ºC, 0.01mmHg) : Not determined

 

7. Refractive index (n20/D) : not determined

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : 49.5

 

10. Spontaneous ignition point or ignition temperature (ºC) : not determined

 

11. Vapor pressure (mmHg,20ºC) : Undetermined

 

12. Saturated vapor pressure (kPa,25ºC) : not determined

 

13. Heat of combustion (KJ/mol) : not determined

 

14. Critical temperature (ºC) : not determined

 

15. Critical pressure (KPa) : not determined

 

16. Log value of oil-water (octanol/water) partition coefficient: not determined

 

17. Upper limit of explosion (%,V/V) : not determined

 

18. Lower explosion limit (%,V/V) : not determined

 

19. Solubility: soluble in methanol, chloroform, insoluble in water.