3,4'-Dinitrobenzophenone

Base Information

• Chemical Name: 3,4'-Dinitrobenzophenone
• CAS No.: 1469-74-5
• Molecular Formula: C13H8N2O5
• Molecular Weight: 272.217
• Hs Code.: 29211190
• European Community (EC) Number: 679-868-3
• DSSTox Substance ID: DTXSID00509043
• Nikkaji Number: J2.637.891E
• Wikidata: Q72472468
• Mol file: 1469-74-5.mol

Synonyms:3,4'-Dinitrobenzophenone;1469-74-5;Methanone, (3-nitrophenyl)(4-nitrophenyl)-;(3-nitrophenyl)-(4-nitrophenyl)methanone;(3-nitrophenyl)(4-nitrophenyl)methanone;3,4/'-Dinitrobenzophenone;SCHEMBL3234327;DTXSID00509043;MFCD00617174;AKOS015911834;BS-43883;CS-0357208;D2551;FT-0633577;D90081;A808572

Chemical Property of 3,4'-Dinitrobenzophenone

Chemical Property:

• Melting Point: 173 °C
• Boiling Point: 471.393 °C at 760 mmHg
• Flash Point: 237.636 °C
• PSA: 108.71000
• Density: 1.423 g/cm³
• LogP: 3.78040
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 272.04332136
• Heavy Atom Count: 20
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

3,4''-Dinitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4'-Dinitrobenzophenone

There total 19 articles about 3,4'-Dinitrobenzophenone 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: 58.0%

4-nitrobenzophenone (1144-74-7) → 3,4'-dinitrobenzophenone (1469-74-5)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃; for 1.66667h;

DOI:10.1016/j.ejmech.2014.05.025

Reference yield: 3.0%

(2R,3R)-2-(4-Nitro-phenyl)-3-(3-nitro-phenyl)-oxirane (77133-16-5) → 3,4'-dinitrobenzophenone (1469-74-5) + 3-nitro-benzaldehyde (99-61-6) + 4-nitrobenzaldehdye (555-16-8)

Guidance literature:

With trifluoroacetic acid; bis-[(trifluoroacetoxy)iodo]benzene; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jo00338a041

Reference yield:

benzophenone (119-61-9) → 3,3'-dinitrobenzophenone (21222-05-9) + 3,4'-dinitrobenzophenone (1469-74-5) + 3-nitrobenzoic acid (121-92-6) + 4-nitro-benzoic acid (62-23-7)

Guidance literature:

at 90 - 95 ℃;

DOI:10.1039/jr9450000378

upstream raw materials:

4-(3'-nitrobenzyl)-nitrobenzene

benzophenone

3-nitrobenzophenone

4-nitrobenzophenone

Downstream raw materials:

3,4'-bis-acetylamino-benzophenone

(3-hydroxyphenyl)(4-hydroxyphenyl)methanone

3,4'-diaminodiphenylmethane

diethyl (hydroxy)(3-nitrophenyl)(4-nitrophenyl)methylphosphonate