2-(3-Chlorophenoxy)propionic acid 2-(3-Chlorophenoxy)propionic acid
Structural formula
| Business number | 02K4 |
|---|---|
| Molecular formula | C9H9ClO3 |
| Molecular weight | 200 |
| label |
Metachlorphenprop, Plant Growth Regulator |
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.
