structure of 2-tert-Butyl-7-chloro-4-nitroindole

2-tert-Butyl-7-chloro-4-nitroindole

CAS No.: 1000018-53-0
M. Wt: 252.697
M. Fa: C12H13ClN2O2
InChI Key: BOYFOMFZAHOXTC-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-tert-Butyl-7-chloro-4-nitroindole

CAS Number

1000018-53-0

MDL Number

MFCD09743738

IUPAC Name

2-tert-butyl-7-chloro-4-nitro-1H-indole

InChI

InChI=1S/C12H13ClN2O2/c1-12(2,3)10-6-7-9(15(16)17)5-4-8(13)11(7)14-10/h4-6,14H,1-3H3

InChIKey

BOYFOMFZAHOXTC-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC2=C(C=CC(=C2N1)Cl)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 2-tert-Butyl-7-chloro-4-nitroindole

Boiling Point

404.4±40.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

252.066559

Flash Point

198.3±27.3 °C

Index of Refraction

1.629

LogP

4.72

Molecular Formula

C12H13ClN2O2

Molecular Weight

252.697

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 2-tert-Butyl-7-chloro-4-nitroindole

Pictograms

Signal Word

 Danger

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

Applications of 2-tert-Butyl-7-chloro-4-nitroindole

The applications of 2-tert-butyl-7-chloro-4-nitroindole span several fields:

  • Pharmaceutical Research: Its unique structure makes it valuable for drug development, particularly in targeting specific enzymes or receptors.
  • Chemical Biology: It serves as a biochemical tool in proteomics and other biological assays due to its ability to interact with biomolecules.

Interaction Studies of 2-tert-Butyl-7-chloro-4-nitroindole

Interaction studies involving 2-tert-butyl-7-chloro-4-nitroindole focus on its binding affinity and selectivity towards various biological targets. These studies often utilize techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific proteins or enzymes.
  • In vitro Assays: To evaluate its biological activity against different cell lines or enzymatic pathways.

Such studies are crucial for understanding its potential therapeutic applications.

Biological Activity of 2-tert-Butyl-7-chloro-4-nitroindole

2-tert-butyl-7-chloro-4-nitroindole has shown potential biological activities, particularly in proteomics research. Its structural modifications enhance its interactions with biological targets, making it a candidate for further pharmacological studies. The compound's ability to modulate biological pathways may be linked to its influence on enzymes or receptors involved in various cellular processes.