structure of 1-Bromo-2,3-dichloro-4-iodobenzene

1-Bromo-2,3-dichloro-4-iodobenzene

CAS No.: 1000574-05-9
M. Wt: 351.795
M. Fa: C6H2BrCl2I
InChI Key: QLCWCMZDBOFHSG-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1-Bromo-2,3-dichloro-4-iodobenzene

CAS Number

1000574-05-9

MDL Number

MFCD09878189

IUPAC Name

1-bromo-2,3-dichloro-4-iodobenzene

InChI

InChI=1S/C6H2BrCl2I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H

InChIKey

QLCWCMZDBOFHSG-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C(=C1Br)Cl)Cl)I

UNSPSC Code

12352100

Physical and chemical properties of 1-Bromo-2,3-dichloro-4-iodobenzene

Boiling Point

320.0±37.0 °C at 760 mmHg

Density

2.3±0.1 g/cm3

Exact Mass

349.776154

Flash Point

147.4±26.5 °C

Index of Refraction

1.670

LogP

4.68

Melting Point

89 to 91°C

Molecular Formula

C6H2BrCl2I

Molecular Weight

351.795

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1-Bromo-2,3-dichloro-4-iodobenzene

Pictograms

Signal Word

 Warning

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

Applications of 1-Bromo-2,3-dichloro-4-iodobenzene

1-Bromo-2,3-dichloro-4-iodobenzene serves various purposes in research and industry:

  • Organic Synthesis: It is a valuable building block in synthetic organic chemistry, particularly for creating complex molecules through cross-coupling reactions.
  • Biological Research: The compound is used in synthesizing biologically active molecules that may have pharmaceutical applications.
  • Industrial Uses: It acts as an intermediate in producing agrochemicals, dyes, and other industrial chemicals.

Interaction Studies of 1-Bromo-2,3-dichloro-4-iodobenzene

Studies on the interactions of 1-Bromo-2,3-dichloro-4-iodobenzene with different nucleophiles and electrophiles are crucial for understanding its reactivity. The presence of multiple halogen substituents enhances its electrophilicity, making it a suitable candidate for various nucleophilic substitution reactions. Additionally, its ability to undergo coupling reactions expands its utility in synthesizing complex organic structures.

Biological Activity of 1-Bromo-2,3-dichloro-4-iodobenzene

Research indicates that halogenated aromatic compounds like 1-Bromo-2,3-dichloro-4-iodobenzene exhibit various biological activities. These compounds can interact with biological systems, potentially leading to pharmacological effects. The specific biological activities of this compound are still under investigation, but similar halogenated compounds have been studied for their antimicrobial and anticancer properties.