1-Bromo-2,3-dinitrobenzene

Base Information

• Chemical Name: 1-Bromo-2,3-dinitrobenzene
• CAS No.: 19613-76-4
• Molecular Formula: C₆H₃BrN₂O₄
• Molecular Weight: 247.005
• DSSTox Substance ID: DTXSID801025760
• Mol file: 19613-76-4.mol

Synonyms:1-bromo-2,3-dinitrobenzene;Bromdinitrobenzol;19613-76-4;SCHEMBL1249766;GEBJYRDABZFWLG-UHFFFAOYSA-N;DTXSID801025760

Chemical Property of 1-Bromo-2,3-dinitrobenzene

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.92762
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Bromo-2,3-dinitrobenzene

There total 4 articles about 1-Bromo-2,3-dinitrobenzene 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: 99.0%

2,3-dinitroaniline (602-03-9) → 1-bromo-2,3-dinitro-benzene (19613-76-4)

Guidance literature:

2,3-dinitroaniline; With sulfuric acid; sodium nitrite; In acetic acid; at 15 - 20 ℃;

With hydrogen bromide; copper(I) bromide; In water; acetic acid; at 75 - 80 ℃;

Reference yield:

→ 1-bromo-2,3-dinitro-benzene (19613-76-4)

Guidance literature:

With hydrogen bromide; copper(I) bromide; at 80 ℃;

DOI:10.1021/jo01116a612

Reference yield:

N-(3-nitrophenyl)acetanilide (122-28-1) → 1-bromo-2,3-dinitro-benzene (19613-76-4)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated sulfuric acid; nitric acid / 20 °C / ueber mehrere Stufen

2: concentrated sulfuric acid / 110 °C

With sulfuric acid; nitric acid;

upstream raw materials:

2,3-dinitroaniline

N-(3-nitrophenyl)acetanilide

N-(2,3-dinitrophenyl)acetamide

Downstream raw materials:

tert-butyl 4-(2,3-dinitrophenyl)piperazine-1-carboxylate

4-bromo-1H-benzo[d]imidazole

(2-bromo-6-nitro-phenyl)-(4-methoxy-phenyl)-amine

3-bromobenzene-1,2-diamine