α,α-2,6-tetrachlorotoluene α,α,2,6-tetrachlorotoluene

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:81-19-6

mdl number:mfcd00016349

einecs number:201-332-0

rtecs number:none

brn number:908809

pubchem number:24861778

physical property data

1. characteristics: colorless liquid.
2. density ( g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): unsure

5. boiling point (ºc,normal pressure): unsure

6. boiling point (ºc,5.2kpa):132-136℃(1.6kpa), 140-142 ℃ (2.13kpa)

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc)：�margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>4. surface tension (dyne/cm):42.6

5. polarizability（10^-24cm³):20.08

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 116

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

this product should be stored in a sealed, cool, dark, dry place away from light.

synthesis method

the preparation method is 2,6-chlorination of dichlorotoluene yields 2,6-dichloro–dichlorobenzyl.
xianxiang 2,6-add thionyl chloride to dichlorotoluene, and use phosphorus trichloride as a catalyst , under ultraviolet irradiation at 200℃通 add chlorine gas, and then use alkali solution to absorb the remaining gas until the mass increases to reach the theoretical amount, and you will get 2, 6- dichloro– benzyl dichloride.

purpose

2,6-dichloro–dichlorobenzyl also known as 2,6-二 chlorobenzylidene dichloride, an important intermediate for the synthesis of benzoyl urea pesticides 2,6-dichlorobenzaldehyde or 2,6-二 chlorobenzaldehyde oxime is also an intermediate of the antibiotic diclofenac and penicillin.

an> 2,6-add thionyl chloride to dichlorotoluene, and add phosphorus trichloride as a catalyst, under ultraviolet irradiation at 200 ℃, and then use alkali to absorb the remaining gas until the mass increase reaches the theoretical amount, that is, 2,6-dichloro–dichlorobenzyl.

purpose

2,6-dichloro–dichlorobenzyl also known as 2,6-二 chlorobenzylidene dichloride, an important intermediate for the synthesis of benzoyl urea pesticides 2,6-dichlorobenzaldehyde or 2,6-二 chlorobenzaldehyde oxime is also an intermediate of the antibiotic diclofenac and penicillin.