Bromophene

Base Information

• Chemical Name: Bromophene
• CAS No.: 21987-62-2
• Molecular Formula: C12H6 Br4 O2
• Molecular Weight: 501.82
• European Community (EC) Number: 633-613-2
• UNII: 3BG8N9724B
• DSSTox Substance ID: DTXSID30176404
• Nikkaji Number: J1.029.212C
• Wikipedia: MC21-A
• Wikidata: Q15426194
• Metabolomics Workbench ID: 118277
• ChEMBL ID: CHEMBL32991
• Mol file: 21987-62-2.mol

Synonyms:3,3',5,5'-tetrabromo-2,2'-biphenyldiol;MC21-A

Chemical Property of Bromophene

Chemical Property:

• Melting Point: 206°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 393.9°Cat760mmHg
• Flash Point: 192°C
• PSA: 40.46000
• Density: 2.319g/cm³
• LogP: 5.81480
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 501.70603
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4',6,6'-TETRABROMO-2,2'-BIPHENOL Aldrich ^*data from reagent 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)Br)Br)O)O)Br)Br

Technology Process of Bromophene

There total 4 articles about Bromophene 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: 100.0%

2,2'-dihydroxybiphenyl (1806-29-7) → 3,3′,5,5′-tetrabromo-[1,1′-biphenyl]-2,2′-diol (21987-62-2)

Guidance literature:

With bromine; acetic acid;

DOI:10.1055/s-2006-939075

Reference yield:

5,5'-dibromo-2,2'-dihydroxybiphenyl (34261-55-7) → 3,3′,5,5′-tetrabromo-[1,1′-biphenyl]-2,2′-diol (21987-62-2)

Guidance literature:

With bromine; acetic acid;

DOI:10.1021/ja01865a018

Reference yield:

3,3',5,5'-tetrabromo-2,2'-biphenyl diacetate (195051-29-7) → 3,3′,5,5′-tetrabromo-[1,1′-biphenyl]-2,2′-diol (21987-62-2)

Guidance literature:

at 200 - 210 ℃;

DOI:10.1246/bcsj.17.10

upstream raw materials:

2,2'-dihydroxybiphenyl

5,5'-dibromo-2,2'-dihydroxybiphenyl

3,3',5,5'-tetrabromo-2,2'-biphenyl diacetate

Downstream raw materials:

2,2'-dihydroxybiphenyl-3,3',5,5'-tetra(phenyl-4-carboxylic acid)

3,3',5,5'-tetraphenyl-2,2'-dihydroxybiphenyl

3,3',5,5'-tetraphenyl-2,2'-bis(methoxymethyloxy)biphenyl