3-Chlorophenoxyacetic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:588-32-9

MDL number:MFCD00015850

EINECS number:209-616-6

RTECS number:None

BRN number:1911185

PubChem ID:None

Physical property data

1. Physical property data

1. Melting point (ºC): 106-111

2. Properties: white crystal

Toxicological data

None

Ecological data

3. Ecological data:

1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

Molecular property data:

1, Molar refractive index:44.02

2, Molar volume (m³/mol):136.5

3, Isotonic specific volume (90.2K ):361.3

4, Surface tension (dyne/cm):49.1

5、 Polarizability (10^-24cm³): 17.45

Compute chemical data

4. Calculated chemical data:

1. Hydrophobic parameters Calculate reference value (XlogP）：2

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: 12

7. Surface charge ：0

8. Complexity ：160

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:0

12. Determine the chemical bond configuration Number of centers:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen chloride.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None

Purpose

None