1,1,2,3,4,4-Hexachlorobutane

Base Information

• Chemical Name: 1,1,2,3,4,4-Hexachlorobutane
• CAS No.: 25237-06-3
• Molecular Formula: C₄H₄Cl₆
• Molecular Weight: 264.794
• European Community (EC) Number: 683-705-1
• NSC Number: 137772
• DSSTox Substance ID: DTXSID90948088
• Nikkaji Number: J70.055J
• Mol file: 25237-06-3.mol

Synonyms:1,1,2,3,4,4-Hexachlorobutane;BUTANE, 1,1,2,3,4,4-HEXACHLORO-;NSC 137772;BRN 1721030;25237-06-3;3-01-00-00288 (Beilstein Handbook Reference);NSC137772;C4H4Cl6;SCHEMBL7597320;DTXSID90948088;C(Cl)(C(Cl)Cl)C(Cl)C(Cl)Cl;AKOS024333065;NSC-137772;LS-45919

Chemical Property of 1,1,2,3,4,4-Hexachlorobutane

Chemical Property:

• Vapor Pressure: 0.00954mmHg at 25°C
• Melting Point: 107 °C
• Boiling Point: 273.5°C at 760 mmHg
• Flash Point: 121.2°C
• PSA: 0.00000
• Density: 1.61g/cm³
• LogP: 3.80860
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 263.841466
• Heavy Atom Count: 10
• Complexity: 79.7

Purity/Quality:

1,1,2,3,4,4-HEXACHLOROBUTANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,1,2,3,4,4-Hexachlorobutane

There total 6 articles about 1,1,2,3,4,4-Hexachlorobutane 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:

trans-1,2-dichloroethylene (156-60-5,43695-79-0) → 1,3,4,4-tetrachloro-1-butene (2984-40-9) + 1,1,2,3,3-pentachloropropane (15104-61-7) + 1,2,2-trichloroethyl formate (117702-55-3) + 1,1,2,3,4,4-hexachlorobutane (25237-06-3,32149-32-9,56437-07-1) + cis-1,2-Dichloroethylene epoxide (16650-11-6) + trans-1,2-Dichloroethylene epoxide (16650-12-7)

Guidance literature:

With oxygen; In neat (no solvent); at 30 ℃; under 1050.08 Torr; Mechanism; Rate constant; Product distribution; Irradiation;

Reference yield:

1,3,4,4-tetrachloro-1-butene (2984-40-9) → meso-1,1,2,3,4,4-hexachlorobutane (25237-06-3) + 1,1,2,3,4,4-hexachlorobutane (25237-06-3,32149-32-9,56437-07-1)

Guidance literature:

With chlorine; at 65 - 70 ℃; for 6h; Irradiation;

Reference yield:

1,3,4,4-tetrachloro-1-butene (2984-40-9) → meso-1,1,2,3,4,4-hexachlorobutane (25237-06-3) + 1,1,2,3,4,4-hexachlorobutane (25237-06-3,32149-32-9,56437-07-1)

Guidance literature:

With chlorine; at 65 - 70 ℃; for 6h; Irradiation;

upstream raw materials:

1,4-dichloro-1,3-butadiene

1,1,2,2-tetrachloroethane

1,3,4,4-tetrachloro-1-butene

chloroform

Downstream raw materials:

1,1,4,4-tetrachloro-1,3-butadiene

1,2,3,4-tetrachloro-buta-1,3-diene