Phenyl carbamate CAS622-46-8

Details:

Density 1.2± 0.1g /cm3
Boiling point 278.9±13.0 °C at 760 mmHg
Melting point 149-152 °C(lit.)
Molecular formula C7H7NO2
Molecular weight 137.136
Flash point 159.3±16.2 °C
Accurate mass 137.047684
PSA 52.32000
LogP is 1.08
Appearance properties white solid
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index 1.552
Storage condition
Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability
1. Stay away from oxidants.

2. Exists in the mainstream smoke.

Molecular structure
1. Molar refractive index: 36.49

2, molar volume (cm3/mol) : 114.2

3. Isotonic volume (90.2K) : 298.0

4. Surface tension (dyne/cm) : 46.3

5. Polarization (10-24cm3) : 14.46

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :2

5. Number of tautomers :2

6. Topological molecular polar surface area 52.3

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :119

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

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