2,3,3',4',5'-Pentachlorobiphenyl

Base Information

• Chemical Name: 2,3,3',4',5'-Pentachlorobiphenyl
• CAS No.: 76842-07-4
• Molecular Formula: C12H5 Cl5
• Molecular Weight: 326.437
• Hs Code.: 2903999090
• UNII: S3SUI921T4
• DSSTox Substance ID: DTXSID2074243
• Nikkaji Number: J164.821G
• Wikidata: Q27288544
• Mol file: 76842-07-4.mol

Synonyms:2,3,3',4',5'-Pentachlorobiphenyl;76842-07-4;2',3,3',4,5-PENTACHLOROBIPHENYL;PCB 122;1,2,3-trichloro-5-(2,3-dichlorophenyl)benzene;UNII-S3SUI921T4;S3SUI921T4;1,1'-Biphenyl,2,3,3',4',5'-pentachloro-;1,1'-Biphenyl, 2,3,3',4',5'-pentachloro-;SCHEMBL4456546;DTXSID2074243;PCB-122;LS-44518;2,3,3/',4/',5/'-Pentachlorobiphenyl;2,3,3',4',5'- Pentachloro-1,1'-biphenyl;PCB 122 (2,3,3',4,5-Pentachlorobiphenyl);2,3,3',4',5'-PENTACHLORO-1,1'-BIPHENYL;Q27288544

Chemical Property of 2,3,3',4',5'-Pentachlorobiphenyl

Chemical Property:

• Melting Point: 95.86°C (estimate)
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 412.3°C (rough estimate)
• Flash Point: 195.9oC
• PSA: 0.00000
• Density: 1.5220 (rough estimate)
• LogP: 6.62060
• Water Solubility.: 12.84ug/L(20 oC)
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

2,3,3',4',5-Pentachlorobiphenyl 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
• Uses: 2'',3,3'',4,5-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,3,3',4',5'-Pentachlorobiphenyl

There total 2 articles about 2,3,3',4',5'-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:

1,2-dichloro-benzene (95-50-1) + 3,4,5-trichloroaniline (634-91-3) → 2',3,3',4,5-pentachlorobiphenyl (76842-07-4) + 33'44'5-pentachlorinated biphenyl (57465-28-8)

Guidance literature:

With isopentyl nitrate; at 120 ℃; for 2h;

Reference yield:

1,2-Dichloro-3-iodobenzene (2401-21-0) + 1,2,3-trichloro-5-iodobenzene (64634-61-3) → 2',3,3',4,5-pentachlorobiphenyl (76842-07-4)

Guidance literature:

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

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

upstream raw materials:

1,2-dichloro-benzene

3,4,5-trichloroaniline

1,2-Dichloro-3-iodobenzene

1,2,3-trichloro-5-iodobenzene

Refernces

• 1、 Bergman, Ake,Nilsson, Andreas,Riego, Juan,Oern, Ulrika. "Synthesis of 14C-Labelled and Unlabelled Coplanar Polychlorinated Biphenyls (PCBs)". . p. 1071 - 1076. Retrieved 2007/10/02.