structure of 2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile

2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile

CAS No.: 1000577-88-7
M. Wt: 340.919
M. Fa: C7H3BrFIN2
InChI Key: DTXQKEMULUBLLM-UHFFFAOYSA-N

Names and Identifiers of 1000577-88-7

CAS Number

1000577-88-7

MDL Number

MFCD09800815

IUPAC Name

2-amino-5-bromo-6-fluoro-3-iodobenzonitrile

InChI

InChI=1S/C7H3BrFIN2/c8-4-1-5(10)7(12)3(2-11)6(4)9/h1H,12H2

InChIKey

DTXQKEMULUBLLM-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=C(C(=C1I)N)C#N)F)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000577-88-7

Boiling Point

323.1±42.0 °C at 760 mmHg

Density

2.4±0.1 g/cm3

Exact Mass

339.850830

Flash Point

149.2±27.9 °C

Index of Refraction

1.720

LogP

3.75

Molecular Formula

C7H3BrFIN2

Molecular Weight

340.919

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000577-88-7

Pictograms

Signal Word

 Warning

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

Applications of 1000577-88-7

2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile has potential applications in various fields:

  • Pharmaceutical Development: Its unique structure may contribute to the development of new drugs, especially in oncology and infectious disease treatment.
  • Material Science: The compound could be utilized in creating novel materials with specific electronic or optical properties.
  • Research Reagent: It serves as a biochemical tool in proteomics research for studying protein interactions and functions.

Interaction Studies of 1000577-88-7

Interaction studies involving 2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile are essential for understanding its biological mechanisms. Preliminary investigations may focus on:

  • Protein Binding Assays: To determine how this compound interacts with target proteins.
  • Cellular Uptake Studies: To assess how effectively it penetrates cellular membranes.

Such studies are crucial for evaluating its therapeutic potential and safety profile.