2,4-Dinitrobenzoic acid

Base Information

• Chemical Name: 2,4-Dinitrobenzoic acid
• CAS No.: 610-30-0
• Molecular Formula: C7H4N2O6
• Molecular Weight: 212.119
• Hs Code.: 29163990
• European Community (EC) Number: 210-219-5,630-196-9
• NSC Number: 243713
• UNII: L3FBD88RA8
• DSSTox Substance ID: DTXSID3060584
• Nikkaji Number: J1.262.244I,J134.823J
• Wikidata: Q72472461
• Mol file: 610-30-0.mol

Synonyms:2,4-dinitrobenzoate;2,4-dinitrobenzoic acid

Chemical Property of 2,4-Dinitrobenzoic acid

Chemical Property:

• Appearance/Colour: pale yellow crystalline powder
• Vapor Pressure: 1.48E-07mmHg at 25°C
• Melting Point: 176-180 °C(lit.)
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 412.8 °C at 760 mmHg
• PKA: 1.43(at 25℃)
• Flash Point: 187.3 °C
• PSA: 128.94000
• Density: 1.688 g/cm³
• LogP: 2.24760
• Storage Temp.: Store below +30°C.
• Solubility.: dioxane: 50 mg/mL, clear
• Water Solubility.: 18.2g/L(25 oC)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 212.00693585
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dinitrobenzoic acid 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
• Uses: 2,4-Dinitrobenzoic acid was used in the spectrophotometric determination of diazepam in pure samples and in its pharmaceutical preparations. It was employed as chromophore probe for analysis of perfluorinated carboxylic acids in water by capillary zone electrophoresis. It can be used to produce 2,4-dinitro-benzoyl chloride. 2,4-Dinitrobenzoic acid can be used as a reactant: In decarboxylative C-N cross-coupling reactions. To synthesize Zwitterionic azaspirocyclic hydantoins by reacting with various carbodiimides via in situ intramolecular dearomatization reaction. To prepare 1-(2,4-dinitrophenyl)ethanone by condensation with dimethyl malonate and subsequent decarboxylation reaction.It can also be used in the spectrophotometric determination of diazepam in pure samples and in its pharmaceutical preparations. In capillary zone electrophoresis, it can be employed as chromophore probe for the analysis of perfluorinated carboxylic acids in water.

Technology Process of 2,4-Dinitrobenzoic acid

There total 62 articles about 2,4-Dinitrobenzoic acid 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: 99.2%

2,4-dinitrotoluene (121-14-2) → 2,4-dinitrobenzoic acid (610-30-0)

Guidance literature:

With oxygen; nitric acid; at 250 ℃; for 0.138333h;

Reference yield: 30.0%

2,4-dinitrobenzaldehyde (528-75-6) → 2,4-dinitrobenzoic acid (610-30-0)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; oxygen; In water; at 20 ℃; for 144h; Enzymatic reaction;

DOI:10.1002/cssc.201402136

Reference yield:

1-ethyl-2,4-dinitrobenzene (1204-29-1) → 2,4-dinitrobenzoic acid (610-30-0)

Guidance literature:

With nitric acid;

upstream raw materials:

2,4-dinitrobenzaldehyde

2,4-dinitrotoluene

1-ethyl-2,4-dinitrobenzene

2,4-dinitrobenzonitrile

Downstream raw materials:

2,4-dinitro-benzoic acid methyl ester

2,4-dinitrobenzonitrile

ethyl 2,4-dinitro benzoate

2,4-dinitro-benzoic acid phenyl ester