2,6-Dichlorophenol
Structural formula
| Business number | 01YB |
|---|---|
| Molecular formula | C6H4Cl2O |
| Molecular weight | 163.00 |
| label |
2,6-dichlorophenol, Cl2C6H3OH |
Numbering system
CAS number:87-65-0
MDL number:MFCD00002176
EINECS number:201-761-3
RTECS number:SK8750000
BRN number:1447806
PubChem number:24862119
Physical property data
1. Properties: Colorless needle-like crystals, toxic and corrosive
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 68℃
5. Boiling point (ºC, normal pressure): 220° C
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined Determined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor Pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
p>
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>
19. Solubility: easily soluble in ethanol and ether, soluble in benzene and petroleum ether
Toxicological data
1. Acute toxicity
Rat abdominal LD50: 390mg/kg;
Mouse caliber: 2120 mg/kg;
2. Neurotoxicity
Rabbit skin test: 2 mg/24HREACTION; Rabbit eye test: 250ug/24HREACTION
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 37.92
2. Molar volume (cm3/mol): 111.7
3. Isotonic specific volume (90.2K): 294.0
4. Surface tension (dyne/cm): 47.8
5. Polarizability (10-24cm3): 15.03
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: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 87.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond establishment.Number of ��centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
Composed of 4- ethyl hydroxybenzoate (ethyl paraben) Obtained by oxidation, alkaline hydrolysis, acidification and decarboxylation.
Purpose
Mainly used for pesticides and medicine,medicine “An important raw material of diclofenac“.
