2,3,3',5,6-Pentachlorobiphenyl

Base Information

• Chemical Name: 2,3,3',5,6-Pentachlorobiphenyl
• CAS No.: 74472-36-9
• Molecular Formula: C₁₂H₅Cl₅
• Molecular Weight: 326.437
• UNII: L4U9YSG558
• DSSTox Substance ID: DTXSID4074225
• Nikkaji Number: J164.825J
• Wikidata: Q27282708
• Mol file: 74472-36-9.mol

Synonyms:2,3,3',5,6-Pentachlorobiphenyl;74472-36-9;1,2,4,5-tetrachloro-3-(3-chlorophenyl)benzene;UNII-L4U9YSG558;PCB No. 112;L4U9YSG558;1,1'-Biphenyl,2,3,3',5,6-pentachloro-;1,1'-Biphenyl, 2,3,3',5,6-pentachloro-;PCB 112;PCB No. 112 10 microg/mL in Isooctane;2,3,3',5,6-Pentachloro-1,1'-biphenyl;PCB 112 (2,3,3',5,6-Pentachlorobiphenyl);SCHEMBL4452902;DTXSID4074225;PCB-112;ZCA47236;2,3,3/',5,6-Pentachlorobiphenyl;Q27282708

Chemical Property of 2,3,3',5,6-Pentachlorobiphenyl

Chemical Property:

• Melting Point: 95.86°C (estimate)
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 374.1 °C at 760 mmHg
• Flash Point: 180.1 °C
• PSA: 0.00000
• Density: 1.522 g/cm³
• LogP: 6.62060
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,3'',5,6-Pentachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
• Uses: 2,3,3'',5,6-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,3,3',5,6-Pentachlorobiphenyl

There total 1 articles about 2,3,3',5,6-Pentachlorobiphenyl 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:

3-iodochlorobenzene (625-99-0) + 1,2,4,5-Tetrachloro-3-iodobenzene (32770-82-4) → 2,3,3',5,6-pentachlorobiphenyl (74472-36-9)

Guidance literature:

With copper; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/0045-6535(95)00140-4

upstream raw materials:

3-iodochlorobenzene

1,2,4,5-Tetrachloro-3-iodobenzene

Refernces