2,4,6-Trichlorophenoxyacetic acid
Structural formula
| Business number | 05V2 |
|---|---|
| Molecular formula | C8H5Cl3O3 |
| Molecular weight | 255.48 |
| label |
Aurora 21967, aromatic compounds |
Numbering system
CAS number:575-89-3
MDL number:None
EINECS number:209-394-0
RTECS number:AJ8405000
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Melting point (ºC): 185
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 53.81
2. Molar volume (m3/mol）：160.4
3. isotonic specific volume (90.2K):433.1
4. Surface Tension (dyne/cm):53.1
5. Polarizability（10-24cm3):21.33
Compute chemical data
4. Calculated chemical data:
1. Hydrophobic parameter calculation reference value (XlogP) ：3.6
2. Hydrogen Bonding Number of donors: 1
3. Hydrogen Bonding Number of receptors: 3
4. Rotatable Number of chemical bonds: 3
5. Topological molecules Polar surface area (TPSA）：46.5
6. Heavy atoms Quantity: 14
7. Surface charge ：0
8. Complexity:200
9. Isotope atomic number:0
10. Determine the number of atomic stereocenters:0
11. Uncertain number of atomic stereocenters:0
12. Determine the number of stereocenters of chemical bonds:0
13. Uncertain number of chemical bond stereocenters:0
14. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
