3,5-DINITROBENZALDEHYDE

Base Information

• Chemical Name: 3,5-DINITROBENZALDEHYDE
• CAS No.: 14193-18-1
• Molecular Formula: C7H4 N2 O5
• Molecular Weight: 196.119
• Hs Code.: 2913000090
• European Community (EC) Number: 868-258-4
• DSSTox Substance ID: DTXSID40364830
• Nikkaji Number: J899.471D
• Wikidata: Q82149002
• Mol file: 14193-18-1.mol

Synonyms:3,5-Dinitrobenzaldehyde

Chemical Property of 3,5-DINITROBENZALDEHYDE

Chemical Property:

• Vapor Pressure: 0.000255mmHg at 25°C
• Melting Point: 85 °C
• Refractive Index: 1.66
• Boiling Point: 323.9°C at 760 mmHg
• Flash Point: 163.8°C
• PSA: 108.71000
• Density: 1.571g/cm³
• LogP: 2.36190
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.01202123
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dinitrobenzaldehyde ^*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-])[N+](=O)[O-])C=O
• Uses: 3,5-Dinitrobenzaldehyde is a reagent used in the synthesis of substituted n-heterocycles that display antibacterial activity.

Technology Process of 3,5-DINITROBENZALDEHYDE

There total 8 articles about 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: 90.0%

3,5-dinitrobenoyl chloride (99-33-2) → 3,5-dinitrobenzaldehyde (14193-18-1)

Guidance literature:

With tri-n-butyl-tin hydride; sodium iodide; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In 1,2-dimethoxyethane; at 25 ℃; for 0.25h;

DOI:10.1016/S0040-4039(97)10117-4

Reference yield: 90.0%

3,5-dinitrobenzyl acetate → 3,5-dinitrobenzaldehyde (14193-18-1)

Guidance literature:

With methanol; potassium permanganate; In ethyl acetate; at 25 ℃; for 16h;

DOI:10.1039/d0nj04321d

Reference yield: 85.0%

3,5-dinitrobenzyl alcohol (71022-43-0) → 3,5-dinitrobenzaldehyde (14193-18-1)

Guidance literature:

With 2,6-dimethylpyridine; N-Bromosuccinimide; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 40 ℃; for 4h;

DOI:10.1081/SCC-200064962

upstream raw materials:

4-bromo-3,5-dinitro-benzaldehyde

3,5-dinitrobenzyl alcohol

3,5-dinitrobenzaldehyde hydrate

3,5-dinitrobenoyl chloride

Downstream raw materials:

3,5-dinitro-benzaldehyde-oxime

3,5-dinitrocinnamic acid allyl ester

1-(1,1-dimethylethyl)-2-methyl 5-[[(1,1-dimethylethoxy)-carbonyl]amino]-4-iodo-7-(phenylmethoxy)indole-1,2-dicarboxylate

methyl (S)-4,7-di-tert-butoxycarbonyl-6-benzyloxy-2-hydroxy-1,2,3,4-tetrahydropyrrolo[3,2-f]quinoline-8-carboxylate