4-Bromo-N-(4-bromophenyl)-N-phenylaniline

Base Information

• Chemical Name: 4-Bromo-N-(4-bromophenyl)-N-phenylaniline
• CAS No.: 81090-53-1
• Molecular Formula: C18H13Br2N
• Molecular Weight: 403.116
• Hs Code.: 29214990
• European Community (EC) Number: 626-530-8
• DSSTox Substance ID: DTXSID50544606
• Nikkaji Number: J208.439B
• Wikidata: Q72465227
• Mol file: 81090-53-1.mol

Synonyms:4,4'-Dibromotriphenylamine;81090-53-1;4-Bromo-N-(4-bromophenyl)-N-phenylaniline;4,4-Dibromotriphenylamine;MFCD00060104;4,4'-Dibromotriphenylamine (purified by sublimation);4-bromo-N-(4-bromophenyl)-N-phenylBenzenamine;4,4'-Dibromo-triphenylamine;Dibromotriphenylamine;4,4''-Dibromotriphenylamine;Benzenamine, 4-bromo-N-(4-bromophenyl)-N-phenyl-;SCHEMBL680815;4,4 inverted exclamation mark -Dibromotriphenylamine;N,N-Bis(p-bromophenyl)aniline;DTXSID50544606;KIGVOJUDEQXKII-UHFFFAOYSA-N;4,4'-Dibromotriphenylamine, 96%;4,4'-Dibromotriphenylamine, 98%;AKOS015901922;CS-W014463;SB66782;AS-19017;SY033977;D1910;D5603;A852009;N,N-Bis(4-bromophenyl)aniline;N,N-Diphenyl-4,4'-dibromoaniline

Chemical Property of 4-Bromo-N-(4-bromophenyl)-N-phenylaniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.679
• Boiling Point: 470.728 °C at 760 mmHg
• PKA: -4.29±0.50(Predicted)
• Flash Point: 238.488 °C
• PSA: 3.24000
• Density: 1.594 g/cm³
• LogP: 6.68140
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 402.93943
• Heavy Atom Count: 21
• Complexity: 278

Purity/Quality:

98.00% ^*data from raw suppliers

4,4''-Dibromotriphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-43-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
• Uses: Polytriarylamine Semiconductors

Technology Process of 4-Bromo-N-(4-bromophenyl)-N-phenylaniline

There total 10 articles about 4-Bromo-N-(4-bromophenyl)-N-phenylaniline 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%

N,N-diphenylaminobenzene (603-34-9) → N,N-bis(4-bromophenyl)aniline (81090-53-1)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; at 20 ℃; for 24h;

Reference yield: 94.0%

bis(4-bromophenyl)amine (16292-17-4) + 1,4-Cyclohexanedione (637-88-7) → N,N-bis(4-bromophenyl)aniline (81090-53-1)

Guidance literature:

toluene-4-sulfonic acid; In toluene; for 12h; Heating;

DOI:10.1246/bcsj.59.803

Reference yield: 86.0%

1,4-bromoiodobenzene (589-87-7) + aniline (62-53-3) → N,N-bis(4-bromophenyl)aniline (81090-53-1)

Guidance literature:

With copper chromium oxide; potassium hydroxide; In toluene; for 7h; Inert atmosphere; Reflux; Green chemistry;

DOI:10.1039/c5ra01915j

upstream raw materials:

bis(4-bromophenyl)amine

1,4-Cyclohexanedione

N,N-diphenylaminobenzene

1,10-Phenanthroline

Downstream raw materials:

4,4'-diformyltriphenylamine

N,N-bis(4-bromophenyl)aminobenzaldehyde

N,N-bis[4-(6'-bromohexyl)phenyl]phenylamine

N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline