(R)-4-Benzyl-2-oxazolidinoneCAS102029-44-7

Details:

Physicochemical properties of (R) -4-benzyl-2-oxazolidinone

The density was 1.2± 0.1g /cm3

Boiling point 398.8±9.0 °C at 760 mmHg

Melting point 88-90 °C

Its molecular formula is C10H11NO2

Its molecular weight was 177.200

The flash point was 195.0±18.7 °C

Exact mass 177.078979

PSA was 38.33000

LogP 1.80

Appearance White to light yellow crystal powder

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

The refractive index was 1.552

Storage conditions

Seal storage, store in a cool, dry warehouse. Stay away from oxidizing agents.

 

stability

Seal storage, store in a cool, dry warehouse. Stay away from oxidizing agents.

 

Water solubility Soluble in: methanol

Molecular structure

1. Molar refractive index: 48.08

 

2, Molar volume (cm3/mol) : 150.5

 

3, isotonic specific volume (90.2K) : 386.1

 

4. Surface tension (dyne/cm) : 43.2

 

5, dielectric constant: not available

 

6, polarizability (10-24cm3) : 19.06

 

7, single isotope mass: 177.078979 Da

 

8. Nominal mass: 177 Da

 

9, average mass: 177.1998 Da

 

Computational chemistry

1. Reference value of hydrophobic parameters (XlogP) :1.7

 

2. Number of hydrogen bond donors :1

 

3. Number of hydrogen bond acceptors :2

 

4. Number of rotatable chemical bonds :2

 

5. Number of tautomers :2

 

6. Polar surface area of topological molecules 38.3

 

7. Number of heavy atoms :13

 

8. Surface charge :0

 

9. Complexity :187

 

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 or off-white powder

 

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

 

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

 

4. Melting point (ºC) : 88-90

 

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

 

6. Boiling point (ºC, 3mmHg) : not determined

 

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

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : 62

 

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: insoluble in water