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

2-Amino-5-chloro-3-iodobenzonitrile

CAS No.: 1000577-48-9
M. Wt: 278.478
M. Fa: C7H4ClIN2
InChI Key: NPZRUCKIIXISQQ-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-Amino-5-chloro-3-iodobenzonitrile

CAS Number

1000577-48-9

MDL Number

MFCD09800802

IUPAC Name

2-amino-5-chloro-3-iodobenzonitrile

InChI

InChI=1S/C7H4ClIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2

InChIKey

NPZRUCKIIXISQQ-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C(=C1C#N)N)I)Cl

UNSPSC Code

12352100

Physical and chemical properties of 2-Amino-5-chloro-3-iodobenzonitrile

Acidity coefficient

-0.89±0.10(Predicted)

Boiling Point

331.4±42.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

277.910767

Flash Point

154.3±27.9 °C

Index of Refraction

1.713

LogP

3.29

Molecular Formula

C7H4ClIN2

Molecular Weight

278.478

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 2-Amino-5-chloro-3-iodobenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 2-Amino-5-chloro-3-iodobenzonitrile

2-Amino-5-chloro-3-iodobenzonitrile has several applications across different fields:

  • Chemistry: It serves as an intermediate in the synthesis of more complex organic molecules.
  • Biology: The compound is used in biochemical assays and studies involving enzyme interactions.
  • Industry: It is applicable in the production of dyes, pigments, and other specialty chemicals.

Interaction Studies of 2-Amino-5-chloro-3-iodobenzonitrile

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

Biological Activity of 2-Amino-5-chloro-3-iodobenzonitrile

Research indicates that 2-Amino-5-chloro-3-iodobenzonitrile exhibits significant biological activity. It has been identified as a potential inhibitor of certain enzymes, particularly in proteomics research. Its unique structural properties allow it to interact with various biological targets, making it relevant in medicinal chemistry and drug development.