3,5-Dinitro-1,1'-biphenyl

Base Information

• Chemical Name: 3,5-Dinitro-1,1'-biphenyl
• CAS No.: 56813-80-0
• Molecular Formula: C12H8N2O4
• Molecular Weight: 244.207
• DSSTox Substance ID: DTXSID30205364
• Wikidata: Q83078927
• Mol file: 56813-80-0.mol

Synonyms:3,5-Dinitro-1,1'-biphenyl;56813-80-0;1,3-dinitro-5-phenylbenzene;1,1-Biphenyl, 3,5-dinitro-;1,1'-Biphenyl, 3,5-dinitro-;SCHEMBL2138930;DTXSID30205364;CS-0161176;F88642

Chemical Property of 3,5-Dinitro-1,1'-biphenyl

Chemical Property:

• Vapor Pressure: 4.35E-06mmHg at 25°C
• Boiling Point: 394.9°Cat760mmHg
• Flash Point: 193°C
• Density: 1.368g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.04840674
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Dinitro-1,1'-biphenyl

There total 7 articles about 3,5-Dinitro-1,1'-biphenyl 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: 64.0%

3,5-dinitrophenyldiazonium tetrafluoroborate + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → meta-dinitrobenzene (99-65-0) + 3,5-dinitro-1,1′-biphenyl (56813-80-0) + 3,5-dinitroiodobenzene (6276-04-6)

Guidance literature:

With potassium iodide; In acetonitrile; for 1h;

DOI:10.1039/a701745f

Reference yield:

3, 5-dinitroaniline (618-87-1) → 3,5-dinitro-1,1′-biphenyl (56813-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / NaNO₂, HCl, HBF₄ / H₂O / 0 °C

2: 64 percent / potassium iodide / acetonitrile / 1 h

With hydrogenchloride; tetrafluoroboric acid; potassium iodide; sodium nitrite; In water; acetonitrile;

DOI:10.1039/a701745f

Reference yield:

1-dimethylamino-2-nitroethene (73430-27-0,87446-70-6,1190-92-7) + phenylacetaldehyde (122-78-1) → 3,5-dinitro-1,1′-biphenyl (56813-80-0)

Guidance literature:

With potassium ethoxide; In ethanol;

upstream raw materials:

1-(4-nitro-2-phenyl-buta-1,3-dienyl)-pyrrolidine

1-dimethylamino-2-nitroethene

phenylacetaldehyde

3, 5-dinitroaniline