1,1,1,5-Tetrachloro-3-methylhexane

Base Information

• Chemical Name: 1,1,1,5-Tetrachloro-3-methylhexane
• CAS No.: 13275-22-4
• Molecular Formula: C7H12Cl4
• Molecular Weight: 237.984
• DSSTox Substance ID: DTXSID50539714
• Mol file: 13275-22-4.mol

Synonyms:1,1,1,5-TETRACHLORO-3-METHYLHEXANE;13275-22-4;Hexane, 1,1,1,5-tetrachloro-3-methyl-;DTXSID50539714

Chemical Property of 1,1,1,5-Tetrachloro-3-methylhexane

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 237.966361
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)Cl)CC(Cl)(Cl)Cl

Technology Process of 1,1,1,5-Tetrachloro-3-methylhexane

There total 6 articles about 1,1,1,5-Tetrachloro-3-methylhexane 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:

tetrachloromethane (56-23-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + dibenzoyl peroxide (94-36-0) → 1,1,1,5-tetrachloro-3-methylhexane (13275-22-4) + 1,1,1,3-tetrachlorobutane (13275-19-9)

Guidance literature:

Reference yield:

tetrachloromethane (56-23-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 5-chlorohex-1-ene (927-54-8) + 1,1,1,5-tetrachloro-3-methylhexane (13275-22-4) + 1,5-Hexadien (592-42-7) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,1,3-tetrachlorobutane (13275-19-9) + 1,1,1-trichloro-3-methyl-hexane (13275-20-2)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 1h; Product distribution; Mechanism; chain termination in the telomerization of title compound;

DOI:10.1007/BF00957255

Reference yield:

tetrachloromethane (56-23-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 1,1,1,5-tetrachloro-3-methylhexane (13275-22-4) + isopropyl chloride (75-29-6) + chloroform (67-66-3,8013-54-5) + 1,1,1-trichloro-butane (13279-85-1) + 1,1,1,3-tetrachlorobutane (13275-19-9) + 1,1,1-trichloro-3-methyl-hexane (13275-20-2)

Guidance literature:

With di-tert-butyl peroxide; triphenylphosphine; at 140 ℃; for 1h; Product distribution; Mechanism; chain termination in the telomerization of title compound;

DOI:10.1007/BF00957255

upstream raw materials:

tetrachloromethane

propene

dibenzoyl peroxide

ethene