2,2',3,3',4,4',6-Heptachlorobiphenyl

Base Information

• Chemical Name: 2,2',3,3',4,4',6-Heptachlorobiphenyl
• CAS No.: 52663-71-5
• Molecular Formula: C₁₂H₃Cl₇
• Molecular Weight: 395.327
• Hs Code.: 2903999090
• European Community (EC) Number: 630-489-1
• UNII: MQY8EP6V5R
• DSSTox Substance ID: DTXSID4073540
• Nikkaji Number: J126.424I
• Wikidata: Q27284179
• ChEMBL ID: CHEMBL269000
• Mol file: 52663-71-5.mol

Synonyms:2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL;52663-71-5;PCB 171;1,2,3,5-Tetrachloro-4-(2,3,4-trichlorophenyl)benzene;UNII-MQY8EP6V5R;MQY8EP6V5R;2,2',3,3',4,4',6-Heptachloro-1,1'-biphenyl;1,1'-Biphenyl, 2,2',3,3',4,4',6-heptachloro-;DTXSID4073540;CHEMBL269000;SCHEMBL4449569;DTXCID3041243;PCB-171;TZMHVHLTPWKZCI-UHFFFAOYSA-N;PCB No. 171 10 microg/mL in Isooctane;2,2',3',4,4',5,6-heptachlorobiphenyl;2,3,4,6,2',3',4'-Heptachloro-biphenyl;2,2/',3,3/',4,4/',6-Heptachlorobiphenyl;Q27284179

Chemical Property of 2,2',3,3',4,4',6-Heptachlorobiphenyl

Chemical Property:

• Melting Point: 117.5°C
• Refractive Index: 1.6330 (rough estimate)
• Boiling Point: 410.8 °C at 760 mmHg
• Flash Point: 200.9 °C
• PSA: 0.00000
• Density: 1.658 g/cm³
• LogP: 7.92740
• Storage Temp.: 20°C, Inert atmosphere
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Methanol (Very Slightly, Heated)
• Water Solubility.: 2.17ug/L(25 oC)
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 393.802494
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL 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:

• Canonical SMILES: C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Uses: 2,2'',3,3'',4,4'',6-Heptachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

Technology Process of 2,2',3,3',4,4',6-Heptachlorobiphenyl

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

2,3,4,6-tetrachloroaniline (654-36-4) + 1,2,3-trichlorobenzene (87-61-6) → 2,2',3,3',4,5,5'-heptachlorobiphenyl (52663-71-5)

Guidance literature:

With isopentyl nitrite;

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

Reference yield:

2,2',3,3',4,5,5'-heptachlorobiphenyl (52663-71-5) → 1,2,3,6,7-pentachlorodibenzofuran (57117-42-7)

Guidance literature:

With oxygen; at 550 - 600 ℃; for 0.00138889h; Product distribution;

DOI:10.1021/ac00252a028

upstream raw materials:

2,3,4,6-tetrachloroaniline

1,2,3-trichlorobenzene

Downstream raw materials:

1,2,3,6,7-pentachlorodibenzofuran

Refernces