4-Bromodiphenylamine

Base Information

• Chemical Name: 4-Bromodiphenylamine
• CAS No.: 54446-36-5
• Molecular Formula: C12H10BrN
• Molecular Weight: 248.122
• Hs Code.: 29214990
• European Community (EC) Number: 626-191-6
• DSSTox Substance ID: DTXSID10423761
• Nikkaji Number: J151.730I
• Mol file: 54446-36-5.mol

Synonyms:4-Bromo-N-phenylbenzenamine;4-Bromodiphenylamine;N-(4-Bromophenyl)phenylamine;N-Phenyl-4-bromoaniline;p-Bromodiphenylamine;

Chemical Property of 4-Bromodiphenylamine

Chemical Property:

• Vapor Pressure: 8.47E-05mmHg at 25°C
• Melting Point: 85-89 °C
• Refractive Index: 1.659
• Boiling Point: 423.1 °C at 760 mmHg
• PKA: 0.11±0.20(Predicted)
• Flash Point: 174.8 °C
• PSA: 12.03000
• Density: 1.16 g/cm³
• LogP: 4.26570
• Solubility.: soluble in Toluene
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.99966
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-N-phenylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-37/38-41-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)Br

Technology Process of 4-Bromodiphenylamine

There total 53 articles about 4-Bromodiphenylamine 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: 94.0%

diphenylamine (122-39-4) → 4-bromodiphenylamine (54446-36-5)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; for 300h;

Reference yield: 94.0%

1.4-dibromobenzene (106-37-6) + aniline (62-53-3) → 4-bromodiphenylamine (54446-36-5)

Guidance literature:

With potassium hydroxide; In water; at 20 ℃; for 6h; Green chemistry;

DOI:10.1002/aoc.3769

Reference yield: 92.0%

triphenyltin chloride (639-58-7) + 4-bromo-aniline (106-40-1) → 4-bromodiphenylamine (54446-36-5)

Guidance literature:

With triethylamine; at 20 ℃; for 15h;

DOI:10.1039/c5ra01934f

upstream raw materials:

N,N-diphenylbenzylamine

bromobenzene

3-bromoacetanilide

N-(4-bromophenyl)-N-phenylbenzamide

Downstream raw materials:

C₁₃H₉BrClNO

N-(4'-anilino[1,1'-biphenyl]-4-yl)-N,N-diphenylamine

4'-(carbazol-9-yl)-N-phenyl-[1,1'-biphenyl]-4-amine

(2R)-2-[(N-4-Bromophenyl-N-phenylcarbamoyloxy)methyl]-5-[(ethoxycarbonyl)methoxy]-2-hydroxy-1,2,3,4-tetrahydronaphthalene