2,5-Dinitrobenzoic acid

Base Information

• Chemical Name: 2,5-Dinitrobenzoic acid
• CAS No.: 610-28-6
• Molecular Formula: C7H4 N2 O6
• Molecular Weight: 216.15
• Hs Code.: 2916399090
• European Community (EC) Number: 210-216-9
• NSC Number: 3810
• UNII: 5U2ZZM3NHS
• DSSTox Substance ID: DTXSID3060582
• Nikkaji Number: J134.822A
• Wikidata: Q81989135
• Mol file: 610-28-6.mol

Synonyms:2,5-dinitrobenzoic acid

Chemical Property of 2,5-Dinitrobenzoic acid

Chemical Property:

• Vapor Pressure: 8.59E-08mmHg at 25°C
• Melting Point: 178-182 °C
• Boiling Point: 419.6°C at 760 mmHg
• PKA: pK1:1.62 (25°C)
• Flash Point: 190.5°C
• PSA: 128.94000
• Density: 1.688±0.06 g/cm3(Predicted)
• LogP: 2.24760
• 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:

98%,99%, ^*data from raw suppliers

2,5-Dinitrobenzoic acid ≥95.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,5-Dinitrobenzoic acid

There total 14 articles about 2,5-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:

6-nitroquinoline (613-50-3) → 2,5-dinitrobenzoic acid (610-28-6)

Guidance literature:

With peracetic acid;

Reference yield:

2,5-dinitrotoluene (619-15-8) → 2,5-dinitrobenzoic acid (610-28-6)

Guidance literature:

With nitric acid; at 145 ℃; im Druckrohr;

Reference yield:

2-ethyl-1,4-dinitrobenzene (13985-58-5) → 2,5-dinitrobenzoic acid (610-28-6)

Guidance literature:

With chromium(III) oxide; sulfuric acid;

upstream raw materials:

6-nitroquinoline

2,5-dinitrotoluene

2-ethyl-1,4-dinitrobenzene

2-methyl-4-nitro-benzenamine

Downstream raw materials:

1,4-phenylenediamine-2-carboxylic acid

2-(2,5-dinitrobenzyl)isoindoline-1,3-dione

2,5-dinitrobenzoyl chloride

2,5-Dinitrobenzonitrile

Refernces

• 1、 Moodie, Roy B.,Sanderson, Andrew J.,Willmer, Richard. "Electrophilic Aromatic Substitution. Part 37. Products of Aromatic Nitrations of some Chloronitrobenzenes and Substituted Benzoic Acids in Solutions of Dinitrogen Pentaoxide and of Nitronium Salts in Nitric Acid". . p. 645 - 650. Retrieved 2007/10/02.