2-(3-chlorophenoxy)propionic acid 2-(3-chlorophenoxy)propionic 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:101-10-0

mdl number:mfcd00009723

einecs number:202-915-2

rtecs number:ue9285000

brn number:1876444

pubchem number:24853946

physical property data

1. properties: white crystal.

2. density (g/ml, 25℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 113-115

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 15mmhg): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

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10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) distribution coefficient: undetermined

17. explosion upper limit (%, v /v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

acute toxicity: rat oral ld50: >750mg/kg; rabbit skin contact ld50: >2mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index: 48.61

2. molar volume (cm³/mol): 153.4

3. isotonic specific volume (90.2k ): 398.5

4. surface tension (dyne/cm): 45.5

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 19.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 184

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

effective in controlling polygonum and other weeds in cereal crops.