Pentachloro(chloromethyl)benzene

Base Information

• Chemical Name: Pentachloro(chloromethyl)benzene
• CAS No.: 2136-78-9
• Molecular Formula: C7H2 Cl6
• Molecular Weight: 298.811
• Hs Code.: 2903999090
• NSC Number: 85645
• DSSTox Substance ID: DTXSID20175623
• Nikkaji Number: J1.392.997A
• Wikidata: Q83045967
• Mol file: 2136-78-9.mol

Synonyms:Pentachloro(chloromethyl)benzene;2136-78-9;1,2,3,4,5-Pentachloro-6-(chloromethyl)benzene;Benzene, pentachloro(chloromethyl)-;NSC85645;Alpha,2,3,4,5,6-hexachlorotoluene;pentachlorobenzyl chloride;C7H2Cl6;NCIOpen2_004947;SCHEMBL7405800;DTXSID20175623;NSC 85645;NSC-85645;1,2,3,4,5-Pentachloro-6-(chloromethyl)benzene #

Chemical Property of Pentachloro(chloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Boiling Point: 339.3°Cat760mmHg
• Flash Point: 164.2°C
• PSA: 0.00000
• Density: 1.689g/cm³
• LogP: 5.69240
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 297.825816
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5,6-PENTACHLOROBENZYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of Pentachloro(chloromethyl)benzene

There total 10 articles about Pentachloro(chloromethyl)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: 84.0%

toluene (108-88-3,15644-74-3,16713-13-6) → tetrachloromethane (56-23-5) + hexachlorobenzene (118-74-1,67471-27-6) + α,α,2,3,4,5,6-pentachlorotoluene (2136-78-9)

Guidance literature:

With chlorine; KSK silica gel; magnesium chloride; at 295 - 320 ℃; for 0.005h; other methal oxide and chloride catalysts;

Reference yield: 70.0%

2,3,4,5,6-pentachlorobenzyldisulfooxonium hydroxide → α,α,2,3,4,5,6-pentachlorotoluene (2136-78-9)

Guidance literature:

In chloroform;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → tetrachloromethane (56-23-5) + pentachlorotoluene (877-11-2) + hexachlorobenzene (118-74-1,67471-27-6) + pentachloro-α,α-dichlorotoluene (2136-95-0) + octachlorotoluene (2605-69-8) + α,α,2,3,4,5,6-pentachlorotoluene (2136-78-9)

Guidance literature:

With aluminum oxide; chlorine; copper dichloride; aluminum oxide; molybdenum(VI) oxide; at 300 ℃; Product distribution; other catalysts, different molar ratio;

upstream raw materials:

pentachlorotoluene

2,4,6-Trinitrotoluene

benzyl chloride

toluene

Downstream raw materials:

C₇H₂Cl₆O₆S₂

2,2-dichloro-3-phenylpropanoic acid

1,2,3,4,5-Pentachloro-6-(2,3,3-trichloro-allyl)-benzene

β,β,2,3,4,5,6-heptachlorostyrene

Refernces

• 1、 Kolsaker, Per,Storflor, Harry,Brobakke, Kristin,Carlberg, Georg E.. "Syntheses and Properties of Hexa- and Heptachlorostyrenes with Fully Chlorinated Aromatic Nuclei". . p. 823 - 832. Retrieved 2007/10/02.