2,4',6-Trichlorobiphenyl

Base Information

• Chemical Name: 2,4',6-Trichlorobiphenyl
• CAS No.: 38444-77-8
• Molecular Formula: C12H7Cl3
• Molecular Weight: 257.54
• Hs Code.: 2903999090
• European Community (EC) Number: 630-499-6
• UNII: QNH1F454E1
• DSSTox Substance ID: DTXSID8073500
• Nikkaji Number: J437.633A
• Wikidata: Q27287368
• Mol file: 38444-77-8.mol

Synonyms:2,4',6-TRICHLOROBIPHENYL;38444-77-8;2,4',6-Trichloro-1,1'-biphenyl;1,3-dichloro-2-(4-chlorophenyl)benzene;2',4,6'-Trichlorobipheny;PCB 32;UNII-QNH1F454E1;QNH1F454E1;1,1'-Biphenyl, 2,4',6-trichloro;1,1'-Biphenyl, 2,4',6-trichloro-;PCB No 32;2,4/',6-Trichlorobiphenyl;PCB-32;SCHEMBL4456487;DTXSID8073500;A873839;Q27287368;ETHANOL-2-[(6-AMINO-2-NAPTHALENYL)-SULFONYL]-HYDROGENSULFATE

Chemical Property of 2,4',6-Trichlorobiphenyl

Chemical Property:

• Melting Point: 63.91°C (estimate)
• Refractive Index: 1.6040 (rough estimate)
• Boiling Point: 316.5°Cat760mmHg
• Flash Point: 215.2°C
• PSA: 0.00000
• Density: 1.351g/cm³
• LogP: 5.31380
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 255.961333
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99%min ^*data from raw suppliers

2'',4,6''-Trichlorobipheny ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,Xn
• Statements: 33-50/53
• Safety Statements: 35-60-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4',6-Trichlorobiphenyl

There total 3 articles about 2,4',6-Trichlorobiphenyl 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: 76.0%

4-chlorophenyl trifluoromethanesulfonate (29540-84-9) + potassium 2,6-dichlorobenzoate (10056-98-1) → PCB 32 (38444-77-8)

Guidance literature:

With 2,6-dimethylpyridine; silver trifluoromethanesulfonate; triphenylphosphine; palladium dichloride; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.200903319

Reference yield: 70.0%

bromochlorobenzene (106-39-8) + sodium (2,6-dichlorophenyl)dimethylsilanolate (1123247-22-2) → PCB 32 (38444-77-8)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 20 - 90 ℃; Inert atmosphere;

DOI:10.1021/ja8091449

Reference yield:

1-Chloro-4-iodobenzene (637-87-6) + 1,3-dichloro-2-iodobenzene (19230-28-5) → PCB 32 (38444-77-8)

Guidance literature:

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

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

upstream raw materials:

1-Chloro-4-iodobenzene

1,3-dichloro-2-iodobenzene

bromochlorobenzene

sodium (2,6-dichlorophenyl)dimethylsilanolate

Refernces

• 1、 Denmark, Scott E.,Smith, Russell C.,Chang, Wen-Tau T.,Muhuhi, Joseck M.. "Cross-coupling reactions of aromatic and heteroaromatic silanolates with aromatic and heteroaromatic halides". supporting information; experimental part. p. 3104 - 3118. Retrieved 2009/08/07.