41513-04-6

Basic information

• Product Name: 2-Bromo-5-chloronitrobenzene
• Synonyms: 2-BROMO-5-CHLORONITROBENZENE;1-BROMO-4-CHLORO-2-NITROBENZENE;4-Bromo-3-nitrochlorobenzene;1-Bromo-2-nitro-4-chlorobenzene;2-Nitro-4-chlorophenyl bromide;3-Nitro-4-bromophenyl chloride;3-chloro-6-bromonitrobenzene;Benzene,1-broMo-4-chloro-2-nitro-
• CAS NO: 41513-04-6
• Molecular Formula: C₆H₃BrClNO₂
• Molecular Weight: 236.45
• EINECS: 255-421-4
• Product Categories: Miscellaneous;Bromine Compounds;Chlorine Compounds;Nitro Compounds;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
• Mol File: 41513-04-6.mol
• Article Data: 6

Chemical Properties

• Melting Point: 67-70 °C(lit.)
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 100.5 °C
• Appearance: white to light yellow crystal powder
• Density: 2.048 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0527mmHg at 25°C
• Refractive Index: 1.6110 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform, Methanol
• BRN: 1950424
• CAS DataBase Reference: 2-Bromo-5-chloronitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-5-chloronitrobenzene(41513-04-6)
• EPA Substance Registry System: 2-Bromo-5-chloronitrobenzene(41513-04-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39-22
• WGK Germany: 3
• Hazardous Substances Data: 41513-04-6(Hazardous Substances Data)

Usage

Description

2-Bromo-5-chloronitrobenzene is an organic compound with the molecular formula C6H3BrClNO2. It is characterized by its white to off-white crystal powder appearance and possesses distinct chemical properties that make it suitable for various applications across different industries.

Uses

Used in Organic Synthesis:
2-Bromo-5-chloronitrobenzene is used as a key intermediate in the synthesis of diindolocarbazoles, which are further utilized in the production of ladder oligo(p-aniline)s. These compounds are essential components in the field of organic electronics due to their unique electronic properties.
Used in Pharmaceutical Industry:
2-Bromo-5-chloronitrobenzene serves as an important intermediate for the synthesis of novel benzenesulfonamides, which have been identified as potent cell cycle inhibitors. These inhibitors hold significant potential in the development of new therapeutic strategies for various diseases, particularly cancer.
Used in Agrochemical and Dye Industry:
2-Bromo-5-chloronitrobenzene is also employed as a crucial intermediate in the synthesis of various agrochemicals and dyes. Its versatility in chemical reactions allows for the creation of a wide range of products with specific applications in these industries.
Used in Chemical Research:
Due to its unique chemical properties, 2-Bromo-5-chloronitrobenzene is often used in chemical synthesis studies. Researchers utilize this compound to explore new reaction pathways, develop innovative synthetic methods, and gain a deeper understanding of the underlying chemical processes.

InChI:InChI=1/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

Upstream product

• 106-39-8 bromochlorobenzene 
• 89-63-4 4-Chloro-2-nitroaniline 
• 7697-37-2 nitric acid 
• 539-03-7 N-(4-chlorophenyl)acetamide 
• 6280-88-2 4-chloro-2-nitro-benzoic acid 
• 787633-79-8 (R,S)-1-(4-chloro-2-nitrophenyl)ethanol 
• 23082-51-1 4'-chloro-2'-nitroacetophenone 

Downstream Products

• 502182-42-5 (4-chloro-2-nitro-phenyl)-(4-methoxy-2,6-dinitro-phenyl)-amine 
• 823-57-4 2-bromo-5-chloroaniline 
• 146667-89-2 4-chloro-2-nitro-1-vinylbenzene 
• 139-24-2 3,3'-dichloroazoxybenzene 
• 126811-29-8 7-bromo-4-chloro-1H-indole 
• 60091-87-4 2-(4-Chlor-2-nitrophenyl)aminobenzencarbonsaeure 
• 573983-41-2 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester 
• 573983-42-3 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester 
• 573983-39-8 3-benzyl-1-(4-chloro-2-nitro-phenyl)-1H-indole-2-carboxylic acid ethyl ester 
• 573983-40-1 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methyl-1H-indole-2-carboxylic acid ethyl ester 
• 231294-99-8 ethyl 3-(4-chloro-2-nitrophenyl)acrylate 
• 871324-84-4 2-(4-Chloro-2-nitro-phenylamino)-1-[(R)-4-(4-fluoro-benzyl)-2-methyl-piperazin-1-yl]-ethanone 
• 778649-40-4 N-octyl-2,7-bis(4'-chloro-2'-nitrophenyl)carbazole 
• 55095-65-3 5-Chlor-2-(2-nitro-4-chlorphenylamino)-benzoesaeure 

Relevant articles and documents

Dehydroxyalkylative halogenation of C(aryl)-C bonds of aryl alcohols

We herein report Cu mediated side-directed dehydroxyalkylative halogenation of aryl alcohols. C(aryl)-C bonds of aryl alcohols were effectively cleaved, affording the corresponding aryl chlorides, bromides and iodides in excellent yields. Aryl alcohols could serve as both aromatic electrophilic and radical synthetic equivalents during the reaction.

PROCESS FOR THE PREPARATION OF ORGANIC HALIDES

The present invention provides a halo-de-carboxylation process for the preparation of organic chlorides, organic bromides and mixtures thereof, from their corresponding carboxylic acids, using a chlorinating agent selected from trichloroisocyanuric acid (TCCA), dichloroisocyanuric acid (DCCA), or combination thereof, and a brominating agent.

Design, synthesis, and fungicidal activity of novel analogues of pyrrolnitrin

A series of novel analogues of pyrrolnitrin containing a thiophene moiety were designed and synthesized by a facile method, and their structures were characterized by 1H nuclear magnetic resonance (NMR) and high-resolution mass spectrometry. The isomers IV-h and V-h were isolated, and their structures were identified by 2D NMR, including heteronuclear multiple-quantum coherence (HMQC), heteronuclear multiple-bond correlation (HMBC), and nuclear Overhauser effect spectrometry (NOESY) spectra. Their fungicidal activities against five fungi were evaluated, and the results indicated that some of the title compounds showed excellent fungicidal activities in vitro against Alternaria solani, Gibberella zeae, Physalospora piricola, Fusarium omysporum, and Cercospora arachidicola at the dosage of 50 μg mL-1. Some compounds shown moderate activity at low dosage. Compound V-h could be considered as a leading structure for further design of agricultural fungicides.