Hexakis(4-bromophenyl)benzene

Base Information

• Chemical Name: Hexakis(4-bromophenyl)benzene
• CAS No.: 19057-50-2
• Molecular Formula: C42H24Br6
• Molecular Weight: 1008.08
• DSSTox Substance ID: DTXSID80458601
• Nikkaji Number: J1.685.318F
• Wikidata: Q82282027
• Mol file: 19057-50-2.mol

Synonyms:19057-50-2;Hexakis(4-bromophenyl)benzene;1,2,3,4,5,6-hexakis(4-bromophenyl)benzene;4,4''-Dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-1,1':2',1''-terphenyl;1,1':2',1''-Terphenyl, 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-;YSZC069;SCHEMBL517237;DTXSID80458601;MFCD27976855;BS-51334;D83619

Chemical Property of Hexakis(4-bromophenyl)benzene

Chemical Property:

• Melting Point: 400.1 °C
• Boiling Point: 699.2±50.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.743±0.06 g/cm3(Predicted)
• LogP: 16.26360
• Storage Temp.: 2-8°C
• XLogP3: 15.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 1007.69168
• Heavy Atom Count: 48
• Complexity: 745

Purity/Quality:

97% ^*data from raw suppliers

4,4''-Dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-1,1':2',1''-terphenyl 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C(=C(C(=C2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br)C7=CC=C(C=C7)Br)Br

Technology Process of Hexakis(4-bromophenyl)benzene

There total 4 articles about Hexakis(4-bromophenyl)benzene 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: 99.0%

hexaphenylbenzene (992-04-1) → 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-1,1':2',1''-terphenyl (19057-50-2)

Guidance literature:

With bromine; In dichloromethane;

DOI:10.1002/chem.200400804

Reference yield: 92.0%

1,2-bis(4-bromophenyl)acetylene (2789-89-1) → 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-1,1':2',1''-terphenyl (19057-50-2)

Guidance literature:

With dicobalt octacarbonyl; In 1,4-dioxane; at 125 ℃; for 7h; Schlenk technique; Inert atmosphere;

Reference yield:

1,2-bis(4-bromophenyl)acetylene (2789-89-1) + C29H22Br2O → 4,4''-dibromo-3',4',5',6'-tetrakis(4-bromophenyl)-1,1':2',1''-terphenyl (19057-50-2)

Guidance literature:

In diphenylether; for 72h; Reflux;

DOI:10.1039/c6cc03002e

upstream raw materials:

2,3,4,5-tetra(p-bromophenyl)cyclopenta-2,4-dien-1-one

1,2-bis(4-bromophenyl)acetylene

hexaphenylbenzene

Downstream raw materials:

1,2,4,5-tetra(4-mesitylphenyl)-3,6-diphenylbenzene

hexakis[4-(4-pyridyl)phenyl]benzene

hexakis(4-methyl-3,6-dimethoxybiphenyl)benzene