structural formula
| business number | 03pf |
|---|---|
| molecular formula | c7h4cl4 |
| molecular weight | 229.92 |
| label |
2,4-dichlorobenzylidene dichloride, α,α,2,4-tetrachlorotoluene, aromatic compounds |
numbering system
cas number:134-25-8
mdl number:none
einecs number:205-134-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
molecular property data:
1、 molar refractive index：50.66
2, molar volume（m 3/mol):153.1
3, isotonic specific volume（90.2k）：391.3
4, surface tension（3.0 dyne/cm span>): 42.6
5, polarizability（ 0.5 10-24cm3): 20.08
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
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: 126
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
storage method
none
synthesis method
the preparation method is to add 2,4-dichlorotoluene and a small amount of pcl3 as a catalyst into a reaction kettle, heat it to 120°c, and introduce chlorine gas under light conditions to perform a chlorination reaction. when a sample is taken and analyzed by gc, 2,4 -the conversion rate of dichlorotoluene ≥99% is the end point of the chlorination reaction. the obtained chlorinated products include 0.62% of 2,4-dichlorobenzyl chloride, 85.18% of 2,4-dichlorobenzylidene dichloride, and 13.8% of 2,4-dichlorotrichloromethylbenzene, which are separated after post-processing. 2,4-dichlorobenzylidene dichloride.
purpose
2,4-dichlorobenzylidene dichloride is an intermediate for the preparation of 2,4-dichlorobenzaldehyde and can be used to produce fungicides such as ethyl alcohol.
20.08
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
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: 126
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
storage method
none
synthesis method
the preparation method is to add 2,4-dichlorotoluene and a small amount of pcl3 as a catalyst into a reaction kettle, heat it to 120°c, and introduce chlorine gas under light conditions to perform a chlorination reaction. when a sample is taken and analyzed by gc, 2,4 -the conversion rate of dichlorotoluene ≥99% is the end point of the chlorination reaction. the obtained chlorinated products include 0.62% of 2,4-dichlorobenzyl chloride, 85.18% of 2,4-dichlorobenzylidene dichloride, and 13.8% of 2,4-dichlorotrichloromethylbenzene, which are separated after post-processing. 2,4-dichlorobenzylidene dichloride.
purpose
2,4-dichlorobenzylidene dichloride is an intermediate for the preparation of 2,4-dichlorobenzaldehyde and can be used to produce fungicides such as ethyl alcohol.
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