1,2,4,5-Tetrachloro-3,6-dimethylbenzene

Base Information

• Chemical Name: 1,2,4,5-Tetrachloro-3,6-dimethylbenzene
• CAS No.: 877-10-1
• Molecular Formula: C8H6Cl4
• Molecular Weight: 243.948
• Hs Code.: 2903999090
• European Community (EC) Number: 212-887-3
• NSC Number: 66546
• UNII: BT3W4X6WHN
• DSSTox Substance ID: DTXSID60236565
• Nikkaji Number: J195.169F
• Wikidata: Q83118532
• Mol file: 877-10-1.mol

Synonyms:1,2,4,5-TETRACHLORO-3,6-DIMETHYLBENZENE;877-10-1;Tetrachloro-p-xylene;2,3,5,6-Tetrachloro-p-xylene;p-Xylene, 2,3,5,6-tetrachloro-;1,2,4,5-Tetrachlorodimethylbenzene;NSC 66546;BT3W4X6WHN;Benzene, 1,2,4,5-tetrachloro-3,6-dimethyl-;EINECS 212-887-3;NSC-66546;AI3-52685;NSC66546;UNII-BT3W4X6WHN;2,5,6-Tetrachloro-p-xylene;p-Xylene,3,5,6-tetrachloro-;SCHEMBL1004982;1,4,5-Tetrachlorodimethylbenzene;DTXSID60236565;P-xylene, 2,3,5,6-tetrachloro;AKOS004905113;1,4,5-Tetrachloro-3,6-dimethylbenzene;Benzene,2,4,5-tetrachloro-3,6-dimethyl-;FT-0674942;1,2,4,5-tetrachloro-3,6-dimethylbenzene (en)

Chemical Property of 1,2,4,5-Tetrachloro-3,6-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.00258mmHg at 25°C
• Melting Point: 172.35°C
• Refractive Index: 1.5149 (estimate)
• Boiling Point: 296.2°Cat760mmHg
• Flash Point: 135.4°C
• PSA: 0.00000
• Density: 1.436g/cm³
• LogP: 4.91700
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 243.919411
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

1,2,4,5-Tetrachloro-3,6-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1Cl)Cl)C)Cl)Cl
• Uses: 2,3,5,6-Tetrachloro-p-xylene is a derivative of 2,3,5,6-Tetrachloro-4-methyl benzonitrile used as intermediates of pesticide with fluorine.

Technology Process of 1,2,4,5-Tetrachloro-3,6-dimethylbenzene

There total 8 articles about 1,2,4,5-Tetrachloro-3,6-dimethylbenzene 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:

para-xylene (106-42-3) → 1,2,4,5-tetrachloro-3,6-dimethyl-benzene (877-10-1) + trichloro-p-xylene (35392-73-5) + 2-chloro-1,4-dimethyl-benzene (95-72-7) + 2,3-dichloro-p-xylene (34840-79-4) + 1,4-dichloro-2,5-dimethylbenzene (1124-05-6)

Guidance literature:

With iron(III) chloride; chlorine; In neat (no solvent); at 70 ℃; Kinetics; Darkness;

DOI:10.1002/kin.21543

Reference yield:

para-xylene (106-42-3) → 1,2,4,5-tetrachloro-3,6-dimethyl-benzene (877-10-1)

Guidance literature:

With chlorine; iron; at 100 ℃; zuletzt in siedendem Tetrachlormethan;

Reference yield:

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) → 1,2,4,5-tetrachloro-3,6-dimethyl-benzene (877-10-1)

Guidance literature:

With chlorine; at 130 - 140 ℃; Irradiation;

DOI:10.1002/hlca.19440270132

upstream raw materials:

para-xylene

1,4-dichloro-2,5-dimethylbenzene

2,4,5-trichloro-3,6-dimethyl-aniline

chloroform

Downstream raw materials:

2,3,5,6-Tetrachlor-4-methylbenzylnitrat

<2,4,5-Trichlorphenyl-3,6-dimethyl>-<4-methylphenyl>-sulfid

1.4-Bis-(2.2-dicarboxy-aethyl)-2.3.5.6-tetrachlor-benzol

1,4-Bis-(2-aethoxycarbonyl-aethyl)-2,3,5,6-tetrachlor-benzol

Refernces

• 1、 Rigas, Fotis P.. "Rate constant ratios in the consecutive chlorination of liquid-phase p-xylene with Cl2 and an iron(III) chloride catalyst". . p. 81 - 89. Retrieved 2021/10/25.