1-Chloro-4-(2,2,2-trichloroethyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(2,2,2-trichloroethyl)benzene
• CAS No.: 3883-14-5
• Molecular Formula: C8H6Cl4
• Molecular Weight: 243.948
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID001273599
• Mol file: 3883-14-5.mol

Synonyms:1-chloro-4-(2,2,2-trichloroethyl)benzene;3883-14-5;starbld0027643;SCHEMBL3658885;DTXSID001273599;(4-chlorophenyl)-2,2,2-trichloroethane

Chemical Property of 1-Chloro-4-(2,2,2-trichloroethyl)benzene

Chemical Property:

• Boiling Point: 281.3±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.448±0.06 g/cm3(Predicted)
• LogP: 4.25270
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 243.919411
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

95% ^*data from raw suppliers

1-Chloro-4-(2,2,2-trichloroethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(Cl)(Cl)Cl)Cl
• Uses: 1-Chloro-4-(2,2,2-trichloroethyl)benzene is used as a compound to study effects such as singlet vs triplet reactivity of photogenerated α,n-didehydrotoluenes and as well, the polar effect in reactions with substituted benzyl radicals with carbon tetrachloride.

Technology Process of 1-Chloro-4-(2,2,2-trichloroethyl)benzene

There total 6 articles about 1-Chloro-4-(2,2,2-trichloroethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

para-chlorobenzylbis(dimethylglyoximato)(pyridine)cobalt(III) (56669-78-4) + Bromotrichloromethane (75-62-7) → bromo Co(III)(dmgH)2py + hexachloroethane (67-72-1) + 1-(2,2,2-trichloroethyl)-4-chlorobenzene (3883-14-5) + 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

In chloroform; Excess of CHCl3, 55°C for 9 h;; detected by NMR spectra and GLC;;

DOI:10.1016/S0022-328X(00)83473-7

Reference yield:

Bromotrichloromethane (75-62-7) → 1-(2,2,2-trichloroethyl)-4-chlorobenzene (3883-14-5) + 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

With 1H-imidazole; In chloroform; at 55 ℃; for 5h; Title compound not separated from byproducts;

DOI:10.1016/S0022-328X(00)83473-7

Reference yield:

1,1-Dichloroethylene (75-35-4,9002-85-1) + 4-chloro-aniline (106-47-8) → 1-(2,2,2-trichloroethyl)-4-chlorobenzene (3883-14-5)

Guidance literature:

With tert.-butylnitrite; copper dichloride; Yield given. Multistep reaction; 2.) CH₃CN;

DOI:10.1021/jo00250a049

upstream raw materials:

1,1-Dichloroethylene

4-chloro-aniline

p-chlorobenzenediazonium chloride

Bromotrichloromethane

Downstream raw materials:

4-chlorophenylacetic Acid

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