2,4,5-Trifluoro-3-methoxybenzoic acid CAS112811-65-1

Details:

Density 1.5± 0.1g /cm3

Boiling point 284.3±35.0 °C at 760 mmHg

Melting point 105-112 °C(lit.)

Molecular formula C8H5F3O3

Molecular weight 206.119

Flash point 125.7±25.9 °C

Exact mass 206.019073

PSA 46.53000

LogP is 2.39

Appearance properties white to light yellow crystalline powder

Vapor pressure 0.0±0.6 mmHg at 25°C

Refractive index 1.487

Storage condition

Store sealed in a cool, dry warehouse. Stay away from oxidants.

 

stability

Stable at normal temperature and pressure, avoid contact with strong oxidant.

 

Molecular structure

1. Molar refractive index: 39.84

 

2, molar volume (cm3/mol) : 138.5

 

3. Isotropic volume (90.2K) : 347.4

 

4. Surface tension (dyne/cm) : 39.4

 

5. Dielectric constant: unavailable

 

6. Polarization (10-24cm3) : 15.79

 

7. Single isotope mass: 206.019079 Da

 

8. Nominal quality: 206 Da

 

9. Average quality: 206.1187 Da

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :1.7

 

2. Number of hydrogen bond donors :1

 

3. Number of hydrogen bond receptors :6

 

4. Number of rotatable bonds :2

 

5. Number of tautomers: None

 

6. Topological molecular polar surface area 46.5

 

7. Number of heavy atoms :14

 

8. Surface charge :0

 

9. Complexity :224

 

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

Package

 

Delivery

 

Our company has long-term cooperation with many world-famous logistics companies to ensure transportation efficiency and cargo safety.