3,4-Dinitrobenzaldehyde

Base Information

• Chemical Name: 3,4-Dinitrobenzaldehyde
• CAS No.: 35998-98-2
• Molecular Formula: C7H4N2O5
• Molecular Weight: 196.119
• Hs Code.: 2913000090
• European Community (EC) Number: 805-117-8
• Nikkaji Number: J1.437.339J
• Mol file: 35998-98-2.mol

Synonyms:3,4-dinitrobenzaldehyde;35998-98-2;3,4-Dinitro-benzaldehyde;SCHEMBL1466944;HWEAXMDJIUCDRB-UHFFFAOYSA-N;MFCD00845054;AKOS024456128;HH-0707;CS-0317963;FT-0687014

Chemical Property of 3,4-Dinitrobenzaldehyde

Chemical Property:

• Melting Point: 62.5 °C(Solv: ligroine (8032-32-4); benzene (71-43-2))
• Boiling Point: 401.2±35.0 °C(Predicted)
• PSA: 108.71000
• Density: 1.571±0.06 g/cm3(Predicted)
• LogP: 2.36190
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.01202123
• Heavy Atom Count: 14
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dinitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 3,4-Dinitrobenzaldehyde

There total 6 articles about 3,4-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%

(3,4-dinitro-phenyl)-methanol (79544-31-3) → 2,4-dinitrobenzaldehyde (35998-98-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 15h;

DOI:10.1021/ja803015m

Reference yield:

C19H12N8O4 → 2,4-dinitrobenzaldehyde (35998-98-2)

Guidance literature:

With hydrogenchloride; water; zinc dibromide; In 1,4-dioxane; for 4.5h; Yield given; Heating;

DOI:10.1016/0040-4039(95)02169-8

Reference yield:

1,2-Dinitrobenzene (528-29-0) → 2,4-dinitrobenzaldehyde (35998-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / KOH / dimethylsulfoxide / 20 °C

2: 1.) ZnBr₂ 2.) HCl, water / dioxane / 4.5 h / Heating

With hydrogenchloride; potassium hydroxide; water; zinc dibromide; In 1,4-dioxane; dimethyl sulfoxide;

DOI:10.1016/0040-4039(95)02169-8

upstream raw materials:

4-diacetoxymethyl-1,2-dinitro-benzene

1,2-Dinitrobenzene

3,4-Dinitrotoluene

(3,4-dinitro-phenyl)-methanol

Downstream raw materials:

2-(3,4-dinitrophenyl)-5-(p-chlorophenyl)benzimidazole

5,6-dibromo-2-(3,4-dinitrophenyl)benzimidazole

2-benzyloxycarbonylamino-3-(3,4-dinitro-phenyl)-acrylic acid methyl ester

3,4-dinitrobenzoic acid

Refernces

• 1、 Tachikawa, Takashi,Wang, Nan,Yamashita, Soichiro,Cui, Shi-Cong,Majima, Tetsuro. "Design of a highly sensitive fluorescent probe for interfacial electron transfer on a TiO2 surface". supporting information; experimental part. p. 8593 - 8597. Retrieved 2011/01/10.
• 2、 Han, Xiaojun,Civiello, Rita L.,Fang, Haiquang,Wu, Dedong,Gao, Qi,Chaturvedula, Prasad V.,Macor, John E.,Dubowchik, Gene M.. "Catalytic asymmetric syntheses of tyrosine surrogates". experimental part. p. 8502 - 8510. Retrieved 2009/04/04.