71785-48-3

Basic information

• Product Name: 4-broMo-2-Methyl-5-nitroaniline
• Synonyms: 4-broMo-2-Methyl-5-nitroaniline;4-bromo-2-methyl-5-nitrobenzenamine
• CAS NO: 71785-48-3
• Molecular Formula: C₇H₇BrN₂O₂
• Molecular Weight: 231.04668
• Mol File: 71785-48-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 118 °C(Solv: ethanol (64-17-5))
• Boiling Point: 325.6±37.0 °C(Predicted)
• Appearance: /
• Density: 1.698±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.74±0.10(Predicted)
• CAS DataBase Reference: 4-broMo-2-Methyl-5-nitroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-broMo-2-Methyl-5-nitroaniline(71785-48-3)
• EPA Substance Registry System: 4-broMo-2-Methyl-5-nitroaniline(71785-48-3)

Safety Data

• Hazardous Substances Data: 71785-48-3(Hazardous Substances Data)

Usage

General Description

4-bromo-2-methyl-5-nitroaniline is a chemical compound with the molecular formula C7H7BrN2O2. It is a yellow crystalline solid that is used in organic synthesis. This chemical is a derivative of aniline, with a bromine atom on the 4th carbon, a methyl group on the 2nd carbon, and a nitro group on the 5th carbon. 4-bromo-2-methyl-5-nitroaniline has applications in the pharmaceutical and agrochemical industries as a building block for the synthesis of various compounds. It is also used in research and development for designing new materials and in the production of dyes and pigments. Additionally, it may have potential uses in the field of medicine and as an intermediate in the synthesis of bioactive molecules.

Upstream product

• 5411-53-0 5-bromo-2,4-dinitro-toluene 
• 13194-70-2 4-bromo-2-methylaniline hydrochloride 
• 583-75-5 4-Bromo-2-methylaniline 

Downstream Products

• 95-80-7 4-methylbenzene-1,3-diamine 
• 141922-21-6 2,4-diamino-5-bromotoluene 
• 929617-40-3 tert-butyl 5-bromo-3-chloro-6-nitro-1H-indazole-1-carboxylate 
• 929617-38-9 5-bromo-6-nitro-1H-indazole-1-carboxylic acid tert-butyl ester 
• 929617-39-0 tert-butyl 5-bromo-6-amino-1H-indazole-1-carboxylate 
• 929617-32-3 5-bromo-3-chloro-6-nitro-1H-indazole 
• 71785-49-4 5-bromo-6-nitro-1H-indazole 

Relevant articles and documents

Synthesis of symmetric dinitro-functionalised troeger's base analogues

The synthesis of six new examples of 2,8-dinitro-substituted Troeger's base analogues are reported, together with the first examples of 1,7-, 3,9- and 4,10-dinitro Troeger's base analogues and the first example of a tetranitro Troeger's base compound. Several of these dinitro compounds lack substituents at the 2- and 8-positions and therefore provide further examples of Troeger's base analogues derived from anilines lacking a para substituent.

RADICAL-ANIONS OF AROMATIC COMPOUNDS. XVI. ELECTRONIC STRUCTURE OF RADICAL-ANIONS AND THE DIRECTION OF PARTIAL REDUCTION OF DISUBSTITUTED DERIVATIVES OF m-DINITROBENZENE: THE RELATIVE EFFECTS OF THE SUBSTITUENTS

It was shown by means of compounds labeled with the 15N isotope that the radical-anions of a wide range of 1,5-disubstituted 2,4-dinitrobenzenes are in most cases characterized by localization of the density of the unpaired electron at one of the nitro groups.It was concluded that the substituents can be arranged in the following order according to their ability to stabilize the form with the negatively charged nitro group at the para position: CO2- > CH3 Br > Cl N(C2H5)2 > CN > OCH3; CO2- > I.The relative effectiveness of the substituents which stabilize the form of the radical-anions with the negatively charged nitro group at the ortho position was determined theoretically as follows: OCH3 +C5H5 +H(C2H5)2.The position of the substituents in the series given above are determined by the combined effect of such factors as the effective volume, the electronic effect transmitted through the skeleton, the field effect, and the ability to form intramolecular hydrogen bonds.It was shown that the direction of partial reduction of the derivatives of m-dinitrobenzene can be predicted on the basis of data on the electronic structure of their radical-anions, which are probable key intermediates of the processes.