4-Hydroxy-3,5-dinitrobenzaldehyde

Base Information

• Chemical Name: 4-Hydroxy-3,5-dinitrobenzaldehyde
• CAS No.: 52132-61-3
• Molecular Formula: C7H4N2O6
• Molecular Weight: 212.119
• Hs Code.: 2913000090
• European Community (EC) Number: 257-684-0
• DSSTox Substance ID: DTXSID80200142
• Nikkaji Number: J279.458F
• Wikidata: Q83073170
• Mol file: 52132-61-3.mol

Synonyms:4-Hydroxy-3,5-dinitrobenzaldehyde;52132-61-3;3,5-Dinitro-4-hydroxybenzaldehyde;EINECS 257-684-0;Benzaldehyde, 4-hydroxy-3,5-dinitro-;SCHEMBL6897071;DTXSID80200142;AMY25129;4-Hydroxy-3,5-dinitrobenzaldehyde #;AKOS016008575;FT-0701580

Chemical Property of 4-Hydroxy-3,5-dinitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Refractive Index: 1.706
• Boiling Point: 280 °C at 760 mmHg
• Flash Point: 122.3 °C
• PSA: 128.94000
• Density: 1.721 g/cm³
• LogP: 2.06750
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 212.00693585
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dinitro-4-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxy-3,5-dinitrobenzaldehyde

There total 5 articles about 4-Hydroxy-3,5-dinitrobenzaldehyde 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%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxy-3,5-dinitrobenzaldehyde (52132-61-3)

Guidance literature:

With trichloroisocyanuric acid; silica gel; sodium nitrite; at 20 ℃; for 0.25h;

DOI:10.1055/s-2003-42063

Reference yield:

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) → 4-hydroxy-3,5-dinitrobenzaldehyde (52132-61-3) + 2,4,6-Trinitrophenol (88-89-1)

Guidance literature:

With nitric acid; at 5 - 10 ℃;

Reference yield:

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) → 4-hydroxy-3,5-dinitrobenzaldehyde (52132-61-3)

Guidance literature:

With nitric acid; at 5 ℃;

upstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

nitric acid

4-hydroxy-benzaldehyde

Downstream raw materials:

4-chloro-3,5-dinitro-benzaldehyde

1-(6-Hydroxyhexyl)-4-<(3,5-dinitro-4-oxocyclohexa-2,5-dienylidene)ethylidene>-1,4-dihydropyridine

3-[(3,5-Dinitro-4-hydroxyphenyl)methylene]-2,4-pentanedione

(E)-4-(3,5-dimethoxystyryl)-2,6-dinitrophenol

Refernces

• 1、 Zolfigol, Mohammad Ali,Madrakian, Elaheh,Ghaemi, Ezat,Niknam, Khodabakhsh. "PEG-N2O4: An efficient nitrating agent for the selective mono- and dinitration of phenols under mild conditions". . p. 3366 - 3374. Retrieved 2008/12/22.