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

Base Information

• Chemical Name: 2,3',4,4',5'-Pentachlorobiphenyl
• CAS No.: 65510-44-3
• Molecular Formula: C₁₂H₅Cl₅
• Molecular Weight: 326.437
• Hs Code.: 2903999090
• European Community (EC) Number: 690-284-8
• UNII: 1R4Z1DI9BB
• DSSTox Substance ID: DTXSID50867160
• Nikkaji Number: J164.840C
• Wikidata: Q27155441
• ChEMBL ID: CHEMBL137662
• Mol file: 65510-44-3.mol

Synonyms:2,3',4,4',5'-Pentachlorobiphenyl;65510-44-3;PCB 123;2',3,4,4',5-PENTACHLOROBIPHENYL;1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene;UNII-1R4Z1DI9BB;1R4Z1DI9BB;CHEMBL137662;CHEBI:81521;2,3',4,4',5'-Pentachloro-1,1'-biphenyl;2',3,4,4',5-Pentachloro-1,1'-biphenyl;1,1'-Biphenyl, 2',3,4,4',5-pentachloro-;1,1'-Biphenyl, 2,3',4,4',5'-pentachloro-;PCB 123 (2,3',4,4',5'-Pentachlorobiphenyl);PCB No. 123;SCHEMBL2908267;DTXSID50867160;PCB-123;BDBM50408367;3,4,5,2',4'-Pentachloro-biphenyl;2',3,4,4',5-PeCB;ethyl2-acetyl-3-(dimethylamino)acrylate;2,3/',4,4/',5/'-Pentachlorobiphenyl;PCB No. 123 10 microg/mL in Isooctane;CS-0454683;1,1'-Biphenyl, 2',3,4,4',5-pentachloro;C18119;1,1'-Biphenyl, 2,3',4,4',5'-pentachloro;Q27155441

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

Chemical Property:

• Boiling Point: 390.2 °C at 760 mmHg
• Flash Point: 192.1 °C
• PSA: 0.00000
• Density: 1.522 g/cm³
• LogP: 6.62060
• Storage Temp.: room temp
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 6.9
• 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'',3,4,4'',5-Pentachlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 33-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
• Uses: 2'',3,4,4'',5-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

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

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

extracted fly ash → 2,3,3',4,4'-pentachlorobiphenyl (32598-14-4) + 2,3',4,4',5-Pentachlorobiphenyl (31508-00-6) + 2',3,4,4',5-pentachlorobiphenyl (65510-44-3) + 2,3,4,4',5-pentachlorobiphenyl (74472-37-0)

Guidance literature:

With oxygen; pyrographite; sodium chloride; at 340 ℃; Further Variations:; percentage of O2 in N2+O2 mixture; Product distribution; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00433-1

Reference yield:

2,4-dichloro-1-iodo-benzene (29898-32-6) + 1,2,3-trichloro-5-iodobenzene (64634-61-3) → 2',3,4,4',5-pentachlorobiphenyl (65510-44-3)

Guidance literature:

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

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

Reference yield:

→ 2',3,4,4',5-pentachlorobiphenyl (65510-44-3)

Guidance literature:

With air; Formation of xenobiotics; Heating;

DOI:10.1021/es048745i

upstream raw materials:

2,4-dichloro-1-iodo-benzene

1,2,3-trichloro-5-iodobenzene

Refernces

• 1、 Pekarek,Grabic,Marklund,Puncochar,Ullrich. "Effects of oxygen on formation of PCB and PCDD/F on extracted fly ash in the presence of carbon and cupric salt". . p. 777 - 782. Retrieved 2007/10/03.