1-Bromo-2,5-dichloro-3-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-2,5-dichloro-3-nitrobenzene
• CAS No.: 219963-62-9
• Molecular Formula: C₆H₂BrCl₂NO₂
• Molecular Weight: 270.897
• DSSTox Substance ID: DTXSID60593044
• Wikidata: Q82487431

Synonyms:1-bromo-2,5-dichloro-3-nitrobenzene;219963-62-9;3-Bromo-2,5-dichloronitrobenzene;SCHEMBL1494433;DTXSID60593044;XTTZFLRDPMATAY-UHFFFAOYSA-N;3-Bromo-2,5-dichloro nitrobenzene;AKOS025132030;AT18858;FS-6087;DB-089309;CS-0436718

Chemical Property of 1-Bromo-2,5-dichloro-3-nitrobenzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 268.86460
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Bromo-2,5-dichloro-3-nitrobenzene

There total 4 articles about 1-Bromo-2,5-dichloro-3-nitrobenzene 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: 92.0%

→ 2-chloro-3-bromo-5-chloronitrobenzene (219963-62-9)

Guidance literature:

With Bromotrichloromethane; trichloroisocyanuric acid; bromine; at 10 - 120 ℃; for 18h; Photolysis;

Reference yield: 81.0%

2,5-dichloronitrobenzene (89-61-2) → 2-chloro-3-bromo-5-chloronitrobenzene (219963-62-9)

Guidance literature:

With sodium bromate; potassium sulfate; sulfuric acid; In water; at 90 - 95 ℃;

Reference yield:

2,5-dichloro-3-nitrobenzoic acid (88-86-8) + mercury(II) oxide (21908-53-2,12653-71-3) → 2-chloro-3-bromo-5-chloronitrobenzene (219963-62-9)

Guidance literature:

With bromine; SiO₂; In tetrachloromethane; n-heptane; ethyl acetate;

upstream raw materials:

2,5-dichloro-3-nitrobenzoic acid

mercury(II) oxide

2,5-dichlorobenzoic acid

2,5-dichloronitrobenzene

Downstream raw materials:

2,5-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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