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