structure of 1-(5-Amino-2-chlorophenyl)ethanone

1-(5-Amino-2-chlorophenyl)ethanone

CAS No.: 99914-14-4
M. Wt: 169.60800
M. Fa: C8H8ClNO
InChI Key: OFXIFGBYOCETDW-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of 1-(5-Amino-2-chlorophenyl)ethanone

CAS Number

99914-14-4

MDL Number

MFCD01076297

IUPAC Name

1-(5-amino-2-chlorophenyl)ethanone

InChI

InChI=1S/C8H8ClNO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3

InChIKey

OFXIFGBYOCETDW-UHFFFAOYSA-N

Canonical SMILES

CC(=O)C1=C(C=CC(=C1)N)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1-(5-Amino-2-chlorophenyl)ethanone

Boiling Point

297ºC at 760 mmHg

Density

1.254g/cm3

Exact Mass

169.02900

Flash Point

133.4ºC

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.586

LogP

2.70600

Molecular Formula

C8H8ClNO

Molecular Weight

169.60800

PSA

43.09000

Safety Information of 1-(5-Amino-2-chlorophenyl)ethanone

Pictograms

Signal Word

 Warning

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

Applications of 1-(5-Amino-2-chlorophenyl)ethanone

1-(5-Amino-2-chlorophenyl)ethanone finds applications in several fields:

  • Pharmaceuticals: Its potential antimicrobial and inhibitory properties make it a candidate for drug development.
  • Chemical Research: Used as an intermediate in organic synthesis and medicinal chemistry.
  • Material Science: Investigated for use in creating functional materials due to its unique chemical properties.

Interaction Studies of 1-(5-Amino-2-chlorophenyl)ethanone

Studies on the interactions of 1-(5-amino-2-chlorophenyl)ethanone with other biological molecules have shown:

  • Protein Binding: The ability to bind with various proteins may influence its pharmacological effects and therapeutic potential.
  • Metabolic Pathways: Understanding how this compound interacts with metabolic enzymes can provide insights into its safety and efficacy as a drug candidate.

Biological Activity of 1-(5-Amino-2-chlorophenyl)ethanone

The biological activity of 1-(5-amino-2-chlorophenyl)ethanone has been studied for its potential pharmacological properties. It is known to exhibit:

  • Antimicrobial Activity: Some studies indicate that this compound has antimicrobial properties, making it a candidate for further research in antibiotic development.
  • CYP Enzyme Inhibition: It has been identified as a CYP1A2 inhibitor, which may influence drug metabolism and efficacy in therapeutic applications.

Physical sample testing spectrum (NMR) of 1-(5-Amino-2-chlorophenyl)ethanone

Physical sample testing spectrum (NMR) of 1-(5-Amino-2-chlorophenyl)ethanone

Retrosynthesis analysis of 1-(5-Amino-2-chlorophenyl)ethanone

  • Route#1

    Cas:23082-50-0
    Cas:99914-14-4