3-Chlorophenoxyacetic acid
Structural formula
| Business number | 05ZD |
|---|---|
| Molecular formula | C8H7ClO3 |
| Molecular weight | 186.59 |
| label |
m-chlorophenoxyacetic acid, m-Chlorophenoxyacetic acid, Phenoxyacetic acid and alcohol (substitution) |
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
