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

Base Information

• Chemical Name: 2,2',3,3',6-Pentachlorobiphenyl
• CAS No.: 52663-60-2
• Molecular Formula: C₁₂H₅Cl₅
• Molecular Weight: 326.437
• Hs Code.: 2903999090
• UNII: VIF9S75RZV
• DSSTox Substance ID: DTXSID0073536
• Nikkaji Number: J126.406K
• Wikidata: Q27291845
• Mol file: 52663-60-2.mol

Synonyms:2,2',3,3',6-pentachlorobiphenyl

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

Chemical Property:

• Melting Point: 95.86°C (estimate)
• Refractive Index: 1.6200 (rough estimate)
• Boiling Point: 361.9°Cat760mmHg
• Flash Point: 171.1°C
• PSA: 0.00000
• Density: 1.522g/cm³
• LogP: 6.62060
• Water Solubility.: 47.02ug/L(20 oC)
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 325.880439
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2,2',3,3',6-PENTACHLOROBIPHENYL 95.00% ^*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=C(C=CC(=C2Cl)Cl)Cl
• Uses: 2,2'',3,3'',6-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.

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

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

2,3-dichloroaniline (608-27-5) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,2',3,3',6-pentachlorobiphenyl (52663-60-2)

Guidance literature:

With sodium acetate; cis-nitrous acid;

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

Reference yield:

→ 2,2',3,3',6-pentachlorobiphenyl (52663-60-2)

Guidance literature:

2,3,6-Trichloranilin, 1,2-Dichlorbenzol, iso-Pentylnitrit;

DOI:10.1016/0045-6535(77)90148-5

Reference yield:

2,2',3,3',6-pentachlorobiphenyl (52663-60-2) → 1,2,8,9-Tetrachlorodibenzofuran (70648-22-5) + 1,2,4,6-tetrachlorodibenzofuran (71998-73-7) + 1,2,6,9-tetrachlorodibenzofuran (70648-18-9)

Guidance literature:

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

DOI:10.1021/ac00252a028

upstream raw materials:

2,3-dichloroaniline

1,2,4-Trichlorobenzene

Downstream raw materials:

1,2,8,9-Tetrachlorodibenzofuran

1,2,4,6-tetrachlorodibenzofuran

1,2,6,9-tetrachlorodibenzofuran

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