2,3',4,4',5,5'-Hexachlorobiphenyl

Base Information

• Chemical Name: 2,3',4,4',5,5'-Hexachlorobiphenyl
• CAS No.: 52663-72-6
• Molecular Formula: C12H4 Cl6
• Molecular Weight: 360.882
• Hs Code.: 2903999090
• European Community (EC) Number: 690-199-6
• UNII: HD4MZI40CH
• DSSTox Substance ID: DTXSID7074165
• Nikkaji Number: J126.399D
• Wikidata: Q27155444
• ChEMBL ID: CHEMBL136151
• Mol file: 52663-72-6.mol

Synonyms:2,3',4,4',5,5'-hexachlorobiphenyl;2,4,5,3',4',5'-hexachlorobiphenyl

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

Chemical Property:

• Melting Point: 115.76°C (estimate)
• Refractive Index: 1.6270 (rough estimate)
• Boiling Point: 416°Cat760mmHg
• Flash Point: 207.9°C
• PSA: 0.00000
• Density: 1.593g/cm³
• LogP: 7.27400
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly)
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 359.841466
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,3',4,4',5,5'-HEXACHLOROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
• Uses: 2,3'',4,4'',5,5''-Hexachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

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

There total 2 articles about 2,3',4,4',5,5'-Hexachlorobiphenyl 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',5-Hexachlorobiphenyl (38380-08-4) + 33'44'5-pentachlorinated biphenyl (57465-28-8) + 2,3',4,4',5,5'-hexachlorobiphenyl (52663-72-6) + pentachlorinated biphenyls; mixture of (25429-29-2)

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:

2,2',3,4,4',5,5'-Heptachlorobiphenyl (35065-29-3) → 2,2',3,4,5,5'-hexachlorobiphenyl (52712-04-6) + 2,2',4,4',5,5'-Hexachlorobiphenyl (35065-27-1,51908-10-2) + 2,3',4,4',5,5'-hexachlorobiphenyl (52663-72-6)

Guidance literature:

In isopropyl alcohol; Title compound not separated from byproducts; γ-Irradiation;

DOI:10.1016/S0045-6535(00)00398-2

upstream raw materials:

2,2',3,4,4',5,5'-Heptachlorobiphenyl

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.