4,4',4''-TRICHLOROTRITYL ALCOHOL CAS3010-80-8

Details:

Density 1.061 g/mL at 25ºC(lit.)
Boiling point 306ºC(lit.)
Melting point 111-113ºC(lit.)
Molecular formula C19H13Cl3O
Molecular weight 363.66500
Flash point 250.1ºC
Accurate mass 362.00300
PSA 20.23,000
LogP 5.93100
Appearance character powder
Refractive index 1.638
Storage condition
Keep in a cool and dry environment

stability
It will not decompose when used and stored according to regulations.

Molecular structure
1, molar refractive index: 95.75

2, molar volume (m3/mol) : 266.1

3. Isotropic specific volume (90.2K) : 708.7

4, surface tension (dyne/cm) : 50.3

5. Polarizability (10-24cm3) : 37.96

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :6.1

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :3

5. Number of tautomers: None

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms :23

8. Surface charge :0

9. Complexity :310

10. Number of isotope atoms :0

11. Determine the number of protonic centers :0

12. Number of uncertain atomic stereocentes :0

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

14. Number of uncertain chemical bond stereocenter :0

15. Number of covalent bond units :1

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