4-Nitrobenzyl alcohol CAS619-73-8

Details:

Density 1.3± 0.1g /cm3
Boiling point 320.8±17.0 °C at 760 mmHg
Melting point 92-94 °C(lit.)
Molecular formula C7H7NO3
Molecular weight 153.135
Flash point 148.1±9.4 °C
Accurate mass 153.042587
PSA 66.05000
LogP 0.76
Appearance characters light yellow to yellow powder
Vapor pressure 0.0±0.7 mmHg at 25°C
Refractive index 1.598
Storage condition
Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability
Stay away from the oxides.

Molecular structure
1. Molar refractive index: 39.24

2, molar volume (m3/mol) : 115.0

3. Isotonic volume (90.2K) : 316.2

4. Surface tension (dyne/cm) : 57.0

5. Polarization (10-24cm3) : 15.55

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

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area 66

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :135

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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