2,4,6-Trichlorophenoxyacetic acid

2,4,6-Trichlorophenoxyacetic acid structural formula

2,4,6-Trichlorophenoxyacetic acid structural formula

Structural formula

Business number 05V2
Molecular formula C8H5Cl3O3
Molecular weight 255.48

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. Polarizability10-24cm3):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

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BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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