2,3-Dinitrobenzoic acid

Base Information

• Chemical Name: 2,3-Dinitrobenzoic acid
• CAS No.: 15147-64-5
• Molecular Formula: C7H4N2O6
• Molecular Weight: 212.119
• Hs Code.: 2916399090
• NSC Number: 137840
• DSSTox Substance ID: DTXSID50934265
• Nikkaji Number: J135.760C
• Wikidata: Q72472458
• Mol file: 15147-64-5.mol

Synonyms:2,3-Dinitrobenzoic acid;15147-64-5;Benzoic acid,2,3-dinitro-;2,3-di-nitrobenzoic acid;NSC137840;SCHEMBL3671;DTXSID50934265;HCSBTDBGTNZOAB-UHFFFAOYSA-N;MFCD00024257;AKOS016003183;NSC-137840;CS-0447191;FT-0637190;A852051

Chemical Property of 2,3-Dinitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.58E-08mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 440.2 °C at 760 mmHg
• PKA: pK1:1.85 (25°C)
• Flash Point: 199.9 °C
• PSA: 128.94000
• Density: 1.688 g/cm³
• LogP: 2.24760
• XLogP3: 1.1
• 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

2,3-DINITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dinitrobenzoic acid

There total 13 articles about 2,3-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: 90.0%

2,3-dinitrobenzaldehyde → 2,3-di-nitrobenzoic acid (15147-64-5)

Guidance literature:

With dihydrogen peroxide; for 0.0416667h; Microwave irradiation;

DOI:10.2298/JSC100920135S

Reference yield:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 2,5-dinitrobenzoic acid (610-28-6) + 2,3-di-nitrobenzoic acid (15147-64-5) + 2,6-dinitrobenzoic acid (603-12-3) + 1,2-Dinitrobenzene (528-29-0) + 2,4-dinitrobenzoic acid (610-30-0)

Guidance literature:

With nitric acid; dinitrogen pentoxide; at 25 ℃; Product distribution; addition of nitronium trifluoromethanesulphonate;

Reference yield:

1-methyl-2,3-dinitrobenzene (602-01-7) → 2,3-di-nitrobenzoic acid (15147-64-5)

Guidance literature:

With nitric acid; at 140 - 150 ℃; im geschlossenen Rohr;

upstream raw materials:

8-nitroquinoline

1-methyl-2,3-dinitrobenzene

1-ethyl-2,3-dinitrobenzene

ortho-nitrobenzoic acid

Downstream raw materials:

di-nitrophenylcarboxamide

2-Benzylthio-3-nitrobenzoesaeure

2,3-diaminobenzoic acid

2,3-dinitrobenzylalcohol

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.