structure of 2,5-Dibromo-1-chloro-3-fluorobenzene

2,5-Dibromo-1-chloro-3-fluorobenzene

CAS No.: 1000572-88-2
M. Wt: 288.33900
M. Fa: C6H2Br2ClF
InChI Key: BNUYHYKELVQSHM-UHFFFAOYSA-N
Appearance: Yellow Liquid

Names and Identifiers of 2,5-Dibromo-1-chloro-3-fluorobenzene

CAS Number

1000572-88-2

MDL Number

MFCD09878162

IUPAC Name

2,5-dibromo-1-chloro-3-fluorobenzene

InChI

InChI=1S/C6H2Br2ClF/c7-3-1-4(9)6(8)5(10)2-3/h1-2H

InChIKey

BNUYHYKELVQSHM-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C(=C1F)Br)Cl)Br

UNSPSC Code

12352100

Physical and chemical properties of 2,5-Dibromo-1-chloro-3-fluorobenzene

Boiling Point

248.3°C at 760 mmHg

Exact Mass

285.82000

LogP

4.00410

Molecular Formula

C6H2Br2ClF

Molecular Weight

288.33900

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Safety Information of 2,5-Dibromo-1-chloro-3-fluorobenzene

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2,5-Dibromo-1-chloro-3-fluorobenzene

2,5-Dibromo-1-chloro-3-fluorobenzene has a wide range of applications across different fields:

  • Organic Synthesis: It serves as a crucial building block for synthesizing complex organic molecules, including pharmaceuticals and agrochemicals.
  • Material Science: The compound is explored for its potential in developing new materials with unique properties due to its halogenated structure.
  • Agrochemicals and Dyes: It is employed in producing various agrochemicals and dyes, leveraging its reactivity for functionalization.

Interaction Studies of 2,5-Dibromo-1-chloro-3-fluorobenzene

The interaction studies involving 2,5-Dibromo-1-chloro-3-fluorobenzene focus on its reactivity with nucleophiles and electrophiles:

  • Nucleophilic Substitution Studies: Research has shown how the electron-withdrawing effects of its halogen substituents enhance nucleophilic substitution reactions, making it a valuable intermediate for synthesizing various derivatives.
  • Protein-Ligand

Biological Activity of 2,5-Dibromo-1-chloro-3-fluorobenzene

The biological activity of 2,5-Dibromo-1-chloro-3-fluorobenzene has been explored in various contexts:

  • Enzyme Inhibition Studies: The compound is utilized in studies investigating enzyme inhibition and protein-ligand interactions. Its halogenated structure can influence the binding affinity and specificity for certain biological targets.
  • Potential Drug Development: As an intermediate in pharmaceutical synthesis, it may contribute to the development of new drug candidates targeting specific biological pathways.

Physical sample testing spectrum (NMR) of 2,5-Dibromo-1-chloro-3-fluorobenzene

Physical sample testing spectrum (NMR) of 2,5-Dibromo-1-chloro-3-fluorobenzene