1,1'-Biphenyl, 3-iodo-

Base Information

• Chemical Name: 1,1'-Biphenyl, 3-iodo-
• CAS No.: 20442-79-9
• Molecular Formula: C12H9I
• Molecular Weight: 280.108
• Hs Code.: 2903999090
• European Community (EC) Number: 243-826-9
• UNII: 3CY7WN4PZV
• DSSTox Substance ID: DTXSID5066615
• Nikkaji Number: J240.183E
• Wikidata: Q81993192
• Mol file: 20442-79-9.mol

Synonyms:3-IODOBIPHENYL;20442-79-9;3-Iodo-biphenyl;1,1'-Biphenyl, 3-iodo-;m-Iodobiphenyl;3-Iodo-1,1'-biphenyl;1-iodo-3-phenylbenzene;3CY7WN4PZV;EINECS 243-826-9;MFCD09032441;3-Iodo-1,1-biphenyl;3-Joddiphenyl;UNII-3CY7WN4PZV;SCHEMBL1921307;DTXSID5066615;AMY28281;AKOS015966182;OL10136;AC-20937;DS-10165;SY029989;CS-0156452;FT-0728334;I1055

Chemical Property of 1,1'-Biphenyl, 3-iodo-

Chemical Property:

• Melting Point: 26.5℃
• Refractive Index: 1.7600 (estimate)
• Boiling Point: 341.6°Cat760mmHg
• Flash Point: 154.7°C
• PSA: 0.00000
• Density: 1.584g/cm³
• LogP: 3.95820
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 279.97490
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98%, ^*data from raw suppliers

3-Iodobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1'-Biphenyl, 3-iodo-

There total 37 articles about 1,1'-Biphenyl, 3-iodo- 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: 97.0%

C23H26INSi (1260425-64-6) → 3-iodo-1,1'-biphenyl (20442-79-9)

Guidance literature:

With silver fluoride; In tetrahydrofuran; water; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201004426

Reference yield: 92.0%

3-bromobiphenyl (2113-57-7) → 3-iodo-1,1'-biphenyl (20442-79-9)

Guidance literature:

With copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane; sodium iodide; In 1,4-dioxane; Reflux; Inert atmosphere;

Reference yield: 90.0%

((1Z,3E)-1-Ethynyl-4-iodo-buta-1,3-dienyl)-benzene → 3-iodo-1,1'-biphenyl (20442-79-9)

Guidance literature:

With TpRu(PPh₃)(CH₃CN)2PF₆; In toluene; at 110 ℃; for 6h;

DOI:10.1021/ja0379159

upstream raw materials:

pyridine

iodobenzene

dibenzoyl peroxide

3-biphenyl amine

Downstream raw materials:

meta-quaterphenyl

2''-nitro-m-quinquephenyl

o-terphenyl

2,2'''-diphenyl-p-quaterphenyl