1043601-53-1

Basic information

• Product Name: 6-Fluoro-1H-indole-3-carbonitrile
• Synonyms: 6-Fluoro-1H-indole-3-carbonitrile;6-Fluoro-3-carbonitrile;1H-INDOLE-3-CARBONITRILE, 6-FLUORO-
• CAS NO: 1043601-53-1
• Molecular Formula: C9H5FN2
• Molecular Weight: 160.1478032
• EINECS: -0
• Mol File: 1043601-53-1.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 6-Fluoro-1H-indole-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Fluoro-1H-indole-3-carbonitrile(1043601-53-1)
• EPA Substance Registry System: 6-Fluoro-1H-indole-3-carbonitrile(1043601-53-1)

Safety Data

• Hazardous Substances Data: 1043601-53-1(Hazardous Substances Data)

Usage

General Description

6-Fluoro-1H-indole-3-carbonitrile is a chemical compound with the molecular formula C9H6FN2. It is an indole derivative and contains a fluorine atom and a nitrile group. 6-Fluoro-1H-indole-3-carbonitrile is commonly used as a building block in organic synthesis, particularly in the pharmaceutical industry for the production of various pharmaceutical products. It has applications in the development of new drugs and can be used as an intermediate in the synthesis of various bioactive compounds. Additionally, it is also used in research and development in the field of organic chemistry.

Upstream product

• 1261025-10-8 C₉H₇FN₂O 
• 399-51-9 6-fluoro-1H-indole 
• 2795-41-7 6-fluoro-1H-indole-3-carbaldehyde 

Relevant articles and documents

An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)

An investigation into the substituent effect of halogen atoms (F, Cl, Br) on the crystal structure of indole-3-carboxylic acid (ICA) was prepared in this work. The investigation was done through the aspect of crystal structure, intermolecular interactions and π...π stacking motifs with the assistance of infrared spectra, elemental analyses, NMR spectra, differential scanning calorimetry (DSC), thermogravimetric analyses (TGA) and hot stage microscopy (HSM) measurements. The results revealed that the different kinds of halogen atoms and the different substituted positions have a significant effect on the crystal structures, molecular π...π stacking motifs and the kinds of intermolecular interactions. We further correlated the melting points of the ICAs with the H-H, O-H and X-H (X = F, Cl, Br) interactions, and found a positive correlation between them.