40385-54-4

Basic information

• Product Name: 2-BroMo-4-Methyl-1-nitro-benzene
• Synonyms: Benzene, 2-bromo-4-methyl-1-nitro-
• CAS NO: 40385-54-4
• Molecular Formula: C₇H₆BrNO₂
• Molecular Weight: 216.03204
• Mol File: 40385-54-4.mol
• Article Data: 7

Chemical Properties

• Melting Point: 37.8°C
• Boiling Point: 269°C (rough estimate)
• Flash Point: 109.304°C
• Appearance: /
• Density: 1.6841 (rough estimate)
• Vapor Pressure: 0.024mmHg at 25°C
• Refractive Index: 1.6120 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-BroMo-4-Methyl-1-nitro-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BroMo-4-Methyl-1-nitro-benzene(40385-54-4)
• EPA Substance Registry System: 2-BroMo-4-Methyl-1-nitro-benzene(40385-54-4)

Safety Data

• Hazardous Substances Data: 40385-54-4(Hazardous Substances Data)

Usage

General Description

2-Bromo-4-methyl-1-nitrobenzene is a chemical compound with the molecular formula C7H6BrNO2. It is a nitroaromatic compound with a bromine and a methyl group attached to a benzene ring. This chemical is commonly used in organic synthesis and as an intermediate for the production of pharmaceuticals and agrochemicals. It is also used as a reagent in the preparation of various other organic compounds. 2-Bromo-4-methyl-1-nitrobenzene is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. It is important to handle this chemical with care as it is toxic and potentially harmful if ingested, inhaled, or in contact with skin.

InChI:InChI=1/C7H6BrNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

Upstream product

• 583-68-6 2-bromo-p-toluidine 
• 591-17-3 meta-bromotoluene 
• 67614-05-5 4-methylaniline hydrobromide 
• 610-39-9 3,4-Dinitrotoluene 
• 108-44-1 1-amino-3-methylbenzene 
• 106-49-0 p-toluidine 
• 578-46-1 5-methyl-2-nitroaniline 

Downstream Products

• 104740-93-4 3-(N-piperidino)-4-nitrotoluene 
• 101682-68-2 3-bromo-4-nitrobenzaldehyde 
• 30788-05-7 2-Nitro-5,4'-dimethyl-diphenylamin 
• 188753-46-0 (S)-2-Hydroxy-4-(5-methyl-2-nitro-phenylamino)-butyric acid 
• 188753-45-9 (R)-2-Hydroxy-4-(5-methyl-2-nitro-phenylamino)-butyric acid 
• 583-68-6 2-bromo-p-toluidine 
• 142906-81-8 2-bromo-4-bromomethyl-1-nitro-benzene 
• 59594-56-8 5,5′-dimethyl-[1,1′-biphenyl]-2,2′-diamine 
• 5599-50-8 3,6-Dimethyl-9H-carbazole 
• 78787-77-6 1,6-dimethyl-9H-carbazole 
• 15936-79-5 7-bromo-5-methyl-1H-indole 
• 42822-58-2 2-amino-5-methyl-phenylphosphonic acid diethylester 
• 21064-50-6 10-methyl-7H-benzo[c]carbazole 
• 73910-79-9 1-methoxy-6-methyl-9H-carbazole 

Relevant articles and documents

Nitration of deactivated aromatic compounds via mechanochemical reaction

A variety of deactivated arenes were nitrated to their corresponding nitro derivatives in excellent yields under high-speed ball milling condition using Fe(NO3)3·9H2O/P2O5 as nitrating reagent. A radical involved mechanism was proposed for this facial, eco-friendly, safe, and effective nitration reaction.

Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands

A new series of carboxyaryl-substituted phenylalanines was designed, synthesized and pharmacologically characterized in vitro at native rat ionotropic glutamate receptors as well as at cloned homomeric kainate receptors GluK1–GluK3. Among them, six compounds bound to GluK1 receptor subtypes with reasonable affinity (Kivalues in the range of 4.9–7.5?μM). A structure–activity relationship (SAR) for the obtained series, focused mainly on the pharmacological effect of structural modifications in the 4- and 5-position of the phenylalanine ring, was established. To illustrate the results, molecular docking of the synthesized series to the X-ray structure of GluK1 ligand binding core was performed. The influence of individual substituents at the phenylalanine ring for both the affinity and selectivity at AMPA, GluK1 and GluK3 receptors was analyzed, giving directions for future studies.

Reaction of dimethyldioxirane with aniline hydrohalides

Oxidation of aromatic amine hydrohalides (aniline hydrochloride, hydrobromide, and hydrofluoride; 4-methylaniline hydrochloride and hydrobromide; 3-methylaniline and N,N-diethylaniline hydrochlorides) with dimethyldioxirane was studied. The product composition was analyzed in relation to the reactant ratio.