1,1,2,3,4-Pentachlorobuta-1,3-diene

Base Information

• Chemical Name: 1,1,2,3,4-Pentachlorobuta-1,3-diene
• CAS No.: 5659-44-9
• Molecular Formula: C4H Cl5
• Molecular Weight: 226.317
• European Community (EC) Number: 227-107-7
• Nikkaji Number: J29.170F,J712.442B
• Mol file: 5659-44-9.mol

Synonyms:1,1,2,3,4-Pentachlorobuta-1,3-diene;5659-44-9;EINECS 227-107-7;(3Z)-1,1,2,3,4-pentachlorobuta-1,3-diene;1,1,2,3,4-Pentachloro-1,3-butadiene;C4HCl5;21484-04-8;SCHEMBL1573810;1,3-Butadiene, 1,1,2,3,4-pentachloro-;(Z)-1,1,2,3,4-Pentachloro-1,3-butadiene;Buta-1,3-diene, 1,1,2,3,4-pentachloro-, (3Z)-

Chemical Property of 1,1,2,3,4-Pentachlorobuta-1,3-diene

Chemical Property:

• Vapor Pressure: 0.153mmHg at 25°C
• Boiling Point: 222.2°C at 760 mmHg
• Flash Point: 90.2°C
• PSA: 0.00000
• Density: 1.638g/cm³
• LogP: 4.19090
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 225.849138
• Heavy Atom Count: 9
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C(C(=C(Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C(=C(/C(=C(Cl)Cl)Cl)\Cl)\Cl

Technology Process of 1,1,2,3,4-Pentachlorobuta-1,3-diene

There total 4 articles about 1,1,2,3,4-Pentachlorobuta-1,3-diene 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:

Trichloroethylene (79-01-6) → 1,1,2,3,4-pentachlorobuta-1,3-diene (5659-44-9)

Guidance literature:

With aluminium trichloride; at 60 ℃; higher-boiling 1.1.2.3.4-pentachlorobutadiene-(1.3)(?);

Reference yield:

1,1,2,3,3,4,4-heptachloro-1-butene (98020-99-6) → 1,1,2,3,4-pentachlorobuta-1,3-diene (5659-44-9)

Guidance literature:

With aluminium trichloride; diethyl ether; aluminium;

DOI:10.1111/1467-9922.00194

Reference yield:

2,3,4,5,5-pentachloro-penta-2,4-dienal (5658-89-9) → 1,1,2,3,4-pentachlorobuta-1,3-diene (5659-44-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

Trichloroethylene

1,1,2,3,3,4,4-heptachloro-1-butene

2,3,4,5,5-pentachloro-penta-2,4-dienal