structure of 2-Amino-5-bromo-3-chloro-6-fluorobenzonitrile

2-Amino-5-bromo-3-chloro-6-fluorobenzonitrile

CAS No.: 1000577-60-5
M. Wt: 249.467
M. Fa: C7H3BrClFN2
InChI Key: IRFNZWZNSTWZMB-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000577-60-5

CAS Number

1000577-60-5

MDL Number

MFCD09800806

IUPAC Name

2-amino-5-bromo-3-chloro-6-fluorobenzonitrile

InChI

InChI=1S/C7H3BrClFN2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1H,12H2

InChIKey

IRFNZWZNSTWZMB-UHFFFAOYSA-N

Canonical SMILES

N#CC1=C(N)C(Cl)=CC(Br)=C1F

UNSPSC Code

12352100

Physical and chemical properties of 1000577-60-5

Boiling Point

279.4±40.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

247.915207

Flash Point

122.8±27.3 °C

Index of Refraction

1.637

LogP

3.36

Molecular Formula

C7H3BrClFN2

Molecular Weight

249.467

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000577-60-5

Pictograms

Signal Word

 Warning

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

Applications of 1000577-60-5

The applications of 2-amino-5-bromo-3-chloro-6-fluorobenzonitrile are diverse:

  • Pharmaceutical Intermediates: It serves as an important intermediate in the synthesis of various pharmaceuticals.
  • Research Chemical: Used extensively in medicinal chemistry for developing new drugs.
  • Material Science: Potential applications in creating novel materials with specific electronic or optical properties.

Interaction Studies of 1000577-60-5

Interaction studies have focused on:

  • Protein Binding: Investigating how this compound interacts with various proteins to understand its mechanism of action.
  • Cellular Uptake: Research into how effectively it penetrates cellular membranes and its subsequent biological effects.
  • Metabolic Pathways: Studies exploring how the compound is metabolized within biological systems and its potential metabolites.

Biological Activity of 1000577-60-5

Research indicates that 2-amino-5-bromo-3-chloro-6-fluorobenzonitrile exhibits notable biological activities, such as:

  • Antimicrobial Properties: Preliminary studies suggest that the compound may possess antimicrobial effects against various bacterial strains.
  • Anticancer Activity: Some derivatives of this compound have shown promise in inhibiting cancer cell proliferation in vitro, indicating potential as an anticancer agent.
  • Enzyme Inhibition: It may act as an inhibitor for specific enzymes involved in metabolic pathways, although detailed studies are required to confirm this.