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“.
