2,4,6-Triphenylnitrobenzene

Base Information

• Chemical Name: 2,4,6-Triphenylnitrobenzene
• CAS No.: 10368-47-5
• Molecular Formula: C24H17 N O2
• Molecular Weight: 351.404
• DSSTox Substance ID: DTXSID60389308
• Nikkaji Number: J208.977G
• Wikidata: Q82184977
• Mol file: 10368-47-5.mol

Synonyms:2,4,6-Triphenylnitrobenzene;10368-47-5;2-nitro-1,3,5-triphenylbenzene;2'-Nitro-5'-phenyl-1,1':3',1''-terphenyl;SCHEMBL9747267;DTXSID60389308;RCL R247081;MFCD00060090;AKOS000618762;CS-0339724;FT-0706058;T0518;D92355

Chemical Property of 2,4,6-Triphenylnitrobenzene

Chemical Property:

• Vapor Pressure: 1.67E-09mmHg at 25°C
• Melting Point: 147°C
• Refractive Index: 1.636
• Boiling Point: 496.3°C at 760 mmHg
• Flash Point: 220.5°C
• PSA: 45.82000
• Density: 1.182g/cm³
• LogP: 7.11900
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 351.125928785
• Heavy Atom Count: 27
• Complexity: 441

Purity/Quality:

98% ^*data from raw suppliers

2,4,6-Triphenylnitrobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Technology Process of 2,4,6-Triphenylnitrobenzene

There total 7 articles about 2,4,6-Triphenylnitrobenzene 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: 96.0%

1,3,5-triphenylbenzene (612-71-5) → 2-nitro-1,3,5-triphenyl-benzene (10368-47-5)

Guidance literature:

With nitric acid; at 75 ℃; for 4.5h;

DOI:10.1039/dt9960004265

Reference yield: 73.0%

2,4,6-triphenylaniline (6864-20-6) → 2-nitro-1,3,5-triphenyl-benzene (10368-47-5)

Guidance literature:

With tert.-butylhydroperoxide; salcomine; In water; 1,2-dichloro-ethane; at 23 - 24 ℃; for 0.666667h;

DOI:10.1016/S0040-4039(00)60100-4

Reference yield:

nitromethane (75-52-5) + 2,4,6-triphenylpyrylium tetrafluoroborate (448-61-3) → 2-nitro-1,3,5-triphenyl-benzene (10368-47-5)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

nitromethane

2,4,6-triphenylpyrylium tetrafluoroborate

potassium tert-butylate

tert-butyl alcohol

Downstream raw materials:

(2,4-bis(2,4,6-triphenylphenylimido)-3-pentyl)Li(OEt₂)

3',5'-diphenyl-p-quaterphenyl

2,4,6-triphenyl-2'-phenylbiphenyl

1,3,5-triphenylbenzene

Refernces

• 1、 Clark, George R.,Nielson, Alastair J.,Rickard, Clifton E. F.. "Preparation and crystal structure of an oxoimido complex of molybdenum containing the 2,4,6-triphenylphenylimide ligand". . p. 4265 - 4268. Retrieved 1996.
• 2、 Nishinaga,Forster,Eichhorn,Speiser,Rieker. "Co(salen) catalyzed oxidation of 2,4,6-trisubstituted anilines with tert-butylhydroperoxide". . p. 4425 - 4428. Retrieved 2007/10/02.