159730-72-0

Basic information

• Product Name: 2-Bromo-4-methyl-5-nitrobenzaldehyde
• Synonyms: 2-Bromo-4-methyl-5-nitrobenzaldehyde
• CAS NO: 159730-72-0
• Molecular Formula: C₈H₆BrNO₃
• Molecular Weight: 244.04
• Mol File: 159730-72-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 318.808 °C at 760 mmHg
• Flash Point: 146.61 °C
• Appearance: /
• Density: 1.678
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.635
• CAS DataBase Reference: 2-Bromo-4-methyl-5-nitrobenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-4-methyl-5-nitrobenzaldehyde(159730-72-0)
• EPA Substance Registry System: 2-Bromo-4-methyl-5-nitrobenzaldehyde(159730-72-0)

Safety Data

• Hazardous Substances Data: 159730-72-0(Hazardous Substances Data)

Usage

General Description

2-Bromo-4-methyl-5-nitrobenzaldehyde is an organic compound with the chemical formula C8H6BrNO3. It is a pale yellow solid with a molecular weight of 236.044 g/mol. This chemical is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It is also employed in organic reactions to introduce the 2-bromo-4-methyl-5-nitrobenzaldehyde moiety into organic molecules. Additionally, it has been studied for its anti-inflammatory and antimicrobial properties, making it a potential candidate for drug development. However, it is important to handle this chemical with caution, as it may pose health risks if not used properly.

InChI:InChI=1/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3

Upstream product

• 824-54-4 2-bromo-4-methylbenzaldehyde 

Downstream Products

• 1029557-22-9 {3-[2-(difluoromethyl)-5-methyl-4-nitrophenoxy]propyl}(trimethyl)silane 
• 1029557-24-1 5-(difluoromethyl)-2-methyl-4-[3-(trimethylsilyl)propoxy]aniline 
• 1029557-20-7 1-bromo-2-(difluoromethyl)-5-methyl-4-nitrobenzene 
• 184161-95-3 6-methyl-5-nitrobenzo[d]thiophen-2-carboxylic acid 
• 159730-73-1 ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate 

Relevant articles and documents

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The synthesis and biological activity are reported for a series of analogues of the previously published indole urea 2 (SB-206553), designed to probe the 5-HT(2C) receptor binding site. Small molecule modeling studies have been used to define a region in space which is allowed at the 5-HT(2C) receptor but disallowed at the 5-HT(2A) receptor. In a complementary approach, docking of 2 into our model of the 5-HT(2C) receptor has allowed us to propose a novel primary binding interaction for this series of diaryl ureas, involving a potential double hydrogen-bonding interaction between the urea carbonyl oxygen of the ligand and two serine residues in the receptor. The difference of two valine residues in the 5-HT(2C) receptor for leucine residues in the 5-HT(2A) receptor is believed to account for the observed 5- HT(2C)/5-HT(2A) selectivity with 2.