2,3-Dinitroaniline

Base Information

• Chemical Name: 2,3-Dinitroaniline
• CAS No.: 602-03-9
• Molecular Formula: C6H5N3O4
• Molecular Weight: 183.123
• Hs Code.: 2921420090
• NSC Number: 37400
• UN Number: 1596
• DSSTox Substance ID: DTXSID80949347
• Nikkaji Number: J134.831K
• Wikidata: Q82927246
• Mol file: 602-03-9.mol

Synonyms:2,3-Dinitroaniline;602-03-9;26471-56-7;Aniline, 2,3-dinitro-;Ar,ar-dinitrobenzenamine;UN1596;Benzenamine, ar,ar-dinitro-;Benzenamine, 2,3-dinitro-;Dinitroanilines;Aniline, dinitro-;Aniline,3-dinitro-;2,3-Dinitro-anilin;Benzenamine,3-dinitro-;SCHEMBL17934;2,3-DINITRO-PHENYLAMINE;DTXSID80949347;NSC37400;MFCD00179569;NSC 37400;NSC-37400;AKOS004910290;Dinitroanilines [UN1596] [Poison];AS-40335;LS-193336;FT-0632496;AE-641/02454014

Chemical Property of 2,3-Dinitroaniline

Chemical Property:

• Melting Point: 128°C
• Refractive Index: 1.6910 (estimate)
• Boiling Point: 423.9 °C at 760 mmHg
• PKA: -2.39±0.10(Predicted)
• Flash Point: 210.2 °C
• PSA: 117.66000
• Density: 1.586 g/cm³
• LogP: 2.71280
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 183.02800565
• Heavy Atom Count: 13
• Complexity: 221
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dinitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N
• Uses: 2,3-Dinitroaniline is a building block used in various chemical synthesis.

Technology Process of 2,3-Dinitroaniline

There total 9 articles about 2,3-Dinitroaniline 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: 93.0%

N-(2,3-dinitrophenyl)acetamide (60956-27-6) → 2,3-dinitroaniline (602-03-9)

Guidance literature:

With sodium methylate; In methanol; for 3h; Reflux;

Reference yield:

lignosulfonate + 2,4-Dinitroanilin (97-02-9) → 2,3-dinitroaniline (602-03-9)

Guidance literature:

With hydrogenchloride; sodium chlorate; In water;

Reference yield:

ethyl N-(4-acetamidophenyl)carbamate (95182-27-7) → 2,3-dinitroaniline (602-03-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / sodium nitrate, conc. H₂SO₄ / 3 h / 0 - 5 °C

2: 65 percent / sodium hydroxide / ethanol

3: 32 percent / conc. sulfuric acid / 3 h / Ambient temperature

With sodium hydroxide; sodium nitrate; sulfuric acid; In ethanol;

upstream raw materials:

2,3-dinitrophenol

urea

N-(2,3-dinitrophenyl)acetamide

sulfuric acid

Downstream raw materials:

3-(morpholin-4-yl)-2-nitroaniline

1,2-dibromo-3-nitrobenzene

6-bromo-2,3-dinitro-aniline

2,3,4,6,N-pentanitro-aniline

Refernces

• 1、 -. "Process for the preparation of chloronitroanilines and chloronitrophenols". . . Retrieved 2008/06/13.