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

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

CAS No.: 1000577-85-4
M. Wt: 296.468
M. Fa: C7H3ClFIN2
InChI Key: SHKGZYTZNRSZAQ-UHFFFAOYSA-N
Appearance: Liquid

Names and Identifiers of 1000577-85-4

CAS Number

1000577-85-4

MDL Number

MFCD09800814

IUPAC Name

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

InChI

InChI=1S/C7H3ClFIN2/c8-4-1-5(10)7(12)3(2-11)6(4)9/h1H,12H2

InChIKey

SHKGZYTZNRSZAQ-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000577-85-4

Boiling Point

329.8±42.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

295.901337

Flash Point

153.2±27.9 °C

Index of Refraction

1.683

LogP

3.58

Melting Point

145 to 147°C

Molecular Formula

C7H3ClFIN2

Molecular Weight

296.468

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000577-85-4

Pictograms

Signal Word

 Danger

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

Applications of 1000577-85-4

The applications of 2-Amino-5-chloro-6-fluoro-3-iodobenzonitrile span across various fields:

  • Medicinal Chemistry: As a potential drug candidate due to its biological activity.
  • Proteomics Research: Utilized as a biochemical tool for studying protein interactions and functions.
  • Organic Synthesis: Acts as an intermediate in the synthesis of more complex organic molecules.

Interaction Studies of 1000577-85-4

Interaction studies have shown that 2-Amino-5-chloro-6-fluoro-3-iodobenzonitrile has specific binding affinities to certain proteins and enzymes. These interactions are crucial for understanding its mechanism of action in biological systems. The compound's ability to inhibit specific cytochrome P450 enzymes suggests potential implications for drug metabolism studies.

Biological Activity of 1000577-85-4

Research indicates that 2-Amino-5-chloro-6-fluoro-3-iodobenzonitrile exhibits significant biological activity, particularly in proteomics research. It has been identified as a potential inhibitor of certain enzymes and may have applications in medicinal chemistry due to its unique structural properties that allow for interaction with biological targets.