2,6-dichlorophenol

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: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“.