3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol

Base Information

• Chemical Name: 3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol
• CAS No.: 21951-40-6
• Molecular Formula: C12H6 Cl4 O2
• Molecular Weight: 323.99
• Hs Code.: 2907299090
• European Community (EC) Number: 244-679-3
• UNII: AY9A32Y835
• DSSTox Substance ID: DTXSID10176361
• Nikkaji Number: J225.491C
• Wikidata: Q27274186
• Mol file: 21951-40-6.mol

Synonyms:21951-40-6;3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol;3,3',5,5'-Tetrachloro-[1,1'-biphenyl]-2,2'-diol;AY9A32Y835;2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;UNII-AY9A32Y835;SCHEMBL8071292;DTXSID10176361;EINECS 244-679-3;4,4',6,6'-Tetrachloro-o,o'-biphenol;3,3',5,5'-tetrachlorobiphenyl-2,2'-diol;2,2'-Biphenyldiol, 4,4',6,6'-tetrachloro-;3,3',5,5'-TETRACHLORO-2,2'-DIPHENOL;3,3',5,5'-TETRACHLORO-2,2'-BIPHENYLDIOL;Q27274186;2,2'-BIPHENYLDIOL, 3,3',5,5'-TETRACHLORO-;2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)phenol;[1,1'-Biphenyl]-2,2'-diol, 4,4',6,6'-tetrachloro-;(1,1'-BIPHENYL)-2,2'-DIOL, 3,3',5,5'-TETRACHLORO-

Chemical Property of 3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol

Chemical Property:

• Boiling Point: 393.9°Cat760mmHg
• Flash Point: 192°C
• PSA: 40.46000
• Density: 2.319g/cm³
• LogP: 5.37840
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 323.909240
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl

Technology Process of 3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol

There total 2 articles about 3,3',5,5'-Tetrachloro-1,1'-biphenyl-2,2'-diol 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: 55.0%

2,2'-dihydroxybiphenyl (1806-29-7) → 3,3',5,5'-tetrachloro-2,2'-hydroxy-1,1'-biphenyl (21951-40-6)

Guidance literature:

With sulfuryl dichloride; at 20 ℃;

DOI:10.1021/jo049359m

Reference yield:

→ 3,3',5,5'-tetrachloro-2,2'-hydroxy-1,1'-biphenyl (21951-40-6)

Guidance literature:

aus o,o'-Biphenol und Cl2;

DOI:10.1021/jo00876a016

Reference yield: 45.0%

3,3',5,5'-tetrachloro-2,2'-hydroxy-1,1'-biphenyl (21951-40-6) + (1S,1'S)-bis(1-phenylethyl)amine (21003-56-5,21003-57-6,23294-41-9,42287-48-9,56210-72-1,10024-74-5) → (S,S)-bis(1-phenylethyl)(2,4,8,10-tetrachloro-5,7-dioxa-6-phosphadibenzo[a,c]cyclohepten-6-yl)amine

Guidance literature:

(1S,1'S)-bis(1-phenylethyl)amine; With triethylamine; phosphorus trichloride; In tetrahydrofuran; at 20 ℃; for 3h;

3,3',5,5'-tetrachloro-2,2'-hydroxy-1,1'-biphenyl; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jo049359m

upstream raw materials:

2,2'-dihydroxybiphenyl

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