1-Bromo-2,4-dinitrobenzene

Base Information

• Chemical Name: 1-Bromo-2,4-dinitrobenzene
• CAS No.: 584-48-5
• Molecular Formula: C6H3 Br N2 O4
• Molecular Weight: 247.005
• Hs Code.: 2904909090
• European Community (EC) Number: 209-539-8
• NSC Number: 3808
• UNII: 4MS3FTW380
• DSSTox Substance ID: DTXSID3060403
• Nikkaji Number: J94.969H
• Wikidata: Q27126388
• Metabolomics Workbench ID: 60334
• Mol file: 584-48-5.mol

Synonyms:1-bromo-2,4-dinitrobenzene

Chemical Property of 1-Bromo-2,4-dinitrobenzene

Chemical Property:

• Appearance/Colour: YELLOW CRYSTALLINE SOLID
• Vapor Pressure: 0.00406mmHg at 25°C
• Melting Point: 71-73 °C(lit.)
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 288℃
• Flash Point: 128℃
• PSA: 91.64000
• Density: 1.910
• LogP: 3.31190
• Water Solubility.: Soluble in water (partly miscible).
• XLogP3: 2.2
• 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:

99.3% ^*data from raw suppliers

1-Bromo-2,4-dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
• Uses: 1-Bromo-2,4-dinitrobenzene has been used in the preparation of 2,4-dinitrophenol via treatment with KO2-crown ether complex in benzene. It is used as substrate in protein determination and glutathione S-transferase (GST) assay of chicken and rat prostaglandin D2 synthase (PGDS). 1-Bromo-2,4-dinitrobenzene has been used:in the preparation of 2,4-dinitrophenol via treatment with KO2-crown ether complex in benzeneas substrate in protein determination and glutathione S-transferase (GST) assay of chicken and rat prostaglandin D2 synthase (PGDS)

Technology Process of 1-Bromo-2,4-dinitrobenzene

There total 15 articles about 1-Bromo-2,4-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: 92.0%

2,4-dinitrobenzenediazonium o-benzenedisulfonimide → 2,4-dinitrobromobenzene (584-48-5)

Guidance literature:

With tetrabutylammomium bromide; copper; In acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1021/jo9819537

Reference yield: 91.0%

2,4-dinitrobenzoic acid (610-30-0) → 2,4-dinitrobromobenzene (584-48-5)

Guidance literature:

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

Reference yield: 87.0%

2,4-dinitrophenyl trifluoromethanesulfonate (32578-27-1) → 2,4-dinitrobromobenzene (584-48-5)

Guidance literature:

With tetrabutylammomium bromide; In toluene; for 20h; Heating;

upstream raw materials:

bromobenzene

2,4-Dinitroanilin

2,4-dinitronitrosobenzene

2,4-dinitrophenyl trifluoromethanesulfonate

Downstream raw materials:

1-(2,4-dinitro-phenyl)-3-ethyl-4,5-dihydro-1H-pyrazole

2,4-dinitro-phenyl thiocyanate

2,4-Dinitrophenol

ethyl 2,2-bis(2,4-dinitrophenyl)acetate

Refernces

• 1、 Sun, Lianqi,Wu, Yanbin,Liu, Yonghua,Chen, Xiaofang,Hu, Laixing. "Novel carbazole sulfonamide derivatives of antitumor agent: Synthesis, antiproliferative activity and aqueous solubility". . p. 261 - 265. Retrieved 2016/12/27.
• 2、 ?tefane, Bogdan,Polanc, Slovenko. "CAN-mediated oxidation of electron-deficient aryl and heteroaryl hydrazines and hydrazides". experimental part. p. 1279 - 1282. Retrieved 2009/04/06.