1000576-44-2 | 2,5-Dibromo-6-fluorotoluene

CAS:1000576-44-2 | 2,5-Dibromo-6-fluorotoluene,Description

2,5-Dibromo-6-fluorotoluene is a chemical compound with the molecular formula C7H5Br2F. It has a molecular weight of 267.92. This compound is used for research purposes.

Molecular Structure Analysis

The molecular structure of 2,5-Dibromo-6-fluorotoluene consists of a toluene ring substituted with two bromine atoms and one fluorine atom. The exact positions of these substituents on the ring can be deduced from the name of the compound: the bromine atoms are on the 2nd and 5th positions, and the fluorine atom is on the 6th position.

Physical And Chemical Properties Analysis

2,5-Dibromo-6-fluorotoluene has a density of 1.9±0.1 g/cm3. It has a boiling point of 236.1±35.0 °C at 760 mmHg. The compound is considered to be a flammable liquid and vapour.

Scientific Research Applications

Synthesis and Molecular Studies

• 2,5-Dibromo-6-fluorotoluene is an important intermediate in medical applications, synthesized from 2-Amino-6-nitrotoluene through various reactions, offering a yield of 51.8% (Li Jiang-he, 2010).
• Its structural and spectroscopic data have been studied using methods like Hartree-Fock and density functional methods, aiding in understanding the molecular structure and vibrational analysis of related compounds (V. Krishnakumar et al., 2013).

Photophysical Applications

• 2,5-Dibromo-6-fluorotoluene derivatives exhibit valuable fluorescent properties as biological probes, with applications in studying protein-protein interactions (M. Vázquez et al., 2005) .
• These compounds are used in synthesizing environmentally sensitive fluorophores, useful in various biological and chemical analyses (G. T. Hwang et al., 2001).

Chemical Analysis and Interaction Studies

• Its derivatives are pivotal in studies involving internal rotation, nuclear quadrupole coupling, and molecular spectroscopy, contributing significantly to the understanding of chemical interactions and molecular dynamics (K. Nair et al., 2020).
• It has been used in studying fungal metabolism, particularly in understanding the catabolism of toluene, offering insights into microbial interactions with similar compounds (F. Prenafeta-Boldú et al., 2001) .

Safety And Hazards

2,5-Dibromo-6-fluorotoluene is classified as a hazardous substance. It is harmful if swallowed and may be fatal if it enters the airways. It can cause skin irritation and serious eye irritation. It may also cause respiratory irritation. Safety measures include avoiding breathing its dust/fume/gas/mist/vapors/spray and avoiding contact with skin and eyes. It should be stored in a well-ventilated place and kept tightly closed.

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