1,1,1,3-Tetrachlorobutane

Base Information

• Chemical Name: 1,1,1,3-Tetrachlorobutane
• CAS No.: 13275-19-9
• Molecular Formula: C4H6 Cl4
• Molecular Weight: 195.904
• Hs Code.: 2903199000
• European Community (EC) Number: 236-274-5
• DSSTox Substance ID: DTXSID10927799
• Nikkaji Number: J87.959B
• Mol file: 13275-19-9.mol

Synonyms:1,1,1,3-Tetrachlorobutane;13275-19-9;EINECS 236-274-5;SCHEMBL4429855;DTXSID10927799;Butane, 1,1,1,3-tetrachloro-

Chemical Property of 1,1,1,3-Tetrachlorobutane

Chemical Property:

• Vapor Pressure: 1.68mmHg at 25°C
• Boiling Point: 173.6°Cat760mmHg
• Flash Point: 55.4°C
• PSA: 0.00000
• Density: 1.394g/cm³
• LogP: 3.37400
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 195.919411
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,3-Tetrachlorobutane

There total 21 articles about 1,1,1,3-Tetrachlorobutane 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: 12.0%

tetrachloromethane (56-23-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → 1,1,1,3-tetrachlorobutane (13275-19-9) + 4,4,4-Trichlor-2-methylbutyrat (25236-74-2)

Guidance literature:

With potassium carbonate; palladium diacetate; triphenylphosphine; for 96h; under 30400 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)96745-6

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) → 1,1,1,3-tetrachlorobutane (13275-19-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile);

Reference yield:

1,1,1-trichloro-butane (13279-85-1) → 1,1,1,3-tetrachlorobutane (13275-19-9) + 1,1,1,4-tetrachloro-butane (20648-48-0)

Guidance literature:

With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide;

DOI:10.1021/ja01620a019

upstream raw materials:

tetrachloromethane

propene

1,1,1-trichloro-butane

dibenzoyl peroxide

Downstream raw materials:

1,1,3-Trichloro-1-butene

1,1,1-Trichloro-2-butene

1,1-dichlorobuta-1,3-diene

1,1,3-trichloro-butane