2,4,6-Trinitrobiphenyl

Base Information

• Chemical Name: 2,4,6-Trinitrobiphenyl
• CAS No.: 29128-23-2
• Molecular Formula: C12H7 N3 O6
• Molecular Weight: 289.2005
• NSC Number: 76625
• UNII: YZ0HVR7UYZ
• DSSTox Substance ID: DTXSID40183386
• Wikidata: Q83054165
• Mol file: 29128-23-2.mol

Synonyms:2,4,6-Trinitrobiphenyl;Picrylbenzene;29128-23-2;2,4,6-Trinitro-1,1'-biphenyl;1,1'-Biphenyl, 2,4,6-trinitro-;CCRIS 4118;1-phenyl-2,4,6-trinitrobenzene;YZ0HVR7UYZ;NSC 76625;BRN 2062364;Biphenyl, 2,4,6-trinitro-;NSC-76625;1,1'-Biphenyl, 2,4,6-trinitro- (9CI);4-05-00-01829 (Beilstein Handbook Reference);NSC76625;UNII-YZ0HVR7UYZ;2,4,6-Trinitrodiphenyl;SCHEMBL5958789;DTXSID40183386;LS-44570

Chemical Property of 2,4,6-Trinitrobiphenyl

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• Boiling Point: 402.5°Cat760mmHg
• Flash Point: 190.7°C
• Density: 1.52g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 289.03348495
• Heavy Atom Count: 21
• Complexity: 396

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trinitrobiphenyl

There total 7 articles about 2,4,6-Trinitrobiphenyl 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%

2,4,6-trinitrochlorobenzene (88-88-0) + trimethyl(phenyl)stannane (934-56-5) → 2,4,6-Trinitro-biphenyl (29128-23-2)

Guidance literature:

iodophenylbis(triphenylphosphine)palladium; In 1,2-dichloro-ethane; at 120 - 130 ℃; for 1.5h;

Reference yield: 95.0%

picryl iodide (4436-27-5) + trimethyl(phenyl)stannane (934-56-5) → 2,4,6-Trinitro-biphenyl (29128-23-2)

Guidance literature:

iodophenylbis(triphenylphosphine)palladium; In 1,2-dichloro-ethane; at 120 - 130 ℃; for 1.5h;

Reference yield: 57.0%

picryl iodide (4436-27-5) + diphenylmercury(II) (587-85-9,1337-09-3) → 2,4,6-Trinitro-biphenyl (29128-23-2)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; iodophenylbis(triphenylphosphine)palladium; In tetrahydrofuran; at 64 ℃; for 1h;

DOI:10.1007/BF00963454

upstream raw materials:

iodobenzene

2,4,6-trinitrochlorobenzene

1,3,5-trinitrobenzene

benzenediazonium tetrafluoroborate