4-Methoxybenzylchloride cas824-94-2

Details:

Density 1.155
Boiling point 117-118 ºC (14 mmHg)
Melting point −1 °C(lit.)
Molecular formula C8H9ClO
Molecular weight 156.609
Flash point 109 ºC
Exact mass 156.034195
PSA 9.23000
LogP 2.40
Appearance properties colorless liquid
Vapor pressure 0.1±0.4 mmHg at 25°C
Refractive index 1.517
Storage condition
Keep the container sealed and store in a cool, dry place

stability
Stable under normal temperature and pressure, avoid strong alkali contact with oxidant

Water slowly decomposes
Molecular structure
1. Molar refractive index: 42.69

2. Molar volume (m3/mol) : 141.1

3. Isotropic specific volume (90.2K) : 339.1

4. Surface tension (dyne/cm) : 33.3

5. Polarization (10-24cm3) : 16.92

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

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 9.2

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :87.3

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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