structure of 3-Bromo-6-(trifluoromethyl)-1H-indazole

3-Bromo-6-(trifluoromethyl)-1H-indazole

CAS No.: 1000341-21-8
M. Wt: 265.030
M. Fa: C8H4BrF3N2
InChI Key: FZZHDSPRCRQGHN-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 3-Bromo-6-(trifluoromethyl)-1H-indazole

CAS Number

1000341-21-8

MDL Number

MFCD09263228

IUPAC Name

3-bromo-6-(trifluoromethyl)-2H-indazole

InChI

InChI=1S/C8H4BrF3N2/c9-7-5-2-1-4(8(10,11)12)3-6(5)13-14-7/h1-3H,(H,13,14)

InChIKey

FZZHDSPRCRQGHN-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(NN=C2C=C1C(F)(F)F)Br

UNSPSC Code

12352100

Physical and chemical properties of 3-Bromo-6-(trifluoromethyl)-1H-indazole

Boiling Point

328.1±37.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

263.950989

Flash Point

152.3±26.5 °C

Index of Refraction

1.596

LogP

3.46

Molecular Formula

C8H4BrF3N2

Molecular Weight

265.030

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 3-Bromo-6-(trifluoromethyl)-1H-indazole

Pictograms

Signal Word

 Warning

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

Applications of 3-Bromo-6-(trifluoromethyl)-1H-indazole

3-Bromo-6-(trifluoromethyl)-1H-indazole has potential applications in several areas:

  • Drug Development: Its unique structure makes it a candidate for developing new pharmaceuticals targeting bacterial infections or cancer.
  • Chemical Synthesis: As a building block in organic synthesis, it can be used to create more complex molecules with specific biological activities.
  • Material Science: The compound may also find applications in developing advanced materials due to its distinctive electronic properties imparted by the trifluoromethyl group.

Interaction Studies of 3-Bromo-6-(trifluoromethyl)-1H-indazole

Interaction studies are crucial for understanding the behavior of 3-Bromo-6-(trifluoromethyl)-1H-indazole in biological systems:

  • Protein Binding Studies: Research into how this compound interacts with proteins can provide insights into its mechanism of action and therapeutic potential.
  • Receptor Binding Assays: Investigating binding affinities to various receptors can help elucidate its pharmacological profile and potential side effects.
  • Metabolism Studies: Understanding how this compound is metabolized in vivo will inform its safety and efficacy as a drug candidate.

Biological Activity of 3-Bromo-6-(trifluoromethyl)-1H-indazole

Research indicates that compounds containing indazole structures exhibit diverse biological activities, including:

  • Antimicrobial Properties: Indazole derivatives have shown potential antibacterial activity against various pathogens, suggesting that 3-Bromo-6-(trifluoromethyl)-1H-indazole may serve as a lead compound in antibiotic development.
  • Anticancer Activity: Some indazole derivatives demonstrate antiproliferative effects against cancer cell lines, indicating potential applications in cancer therapeutics.
  • Neuroprotective Effects: Certain studies have suggested that indazoles may possess neuroprotective properties, opening avenues for research in neurodegenerative diseases.

Physical sample testing spectrum (NMR) of 3-Bromo-6-(trifluoromethyl)-1H-indazole

Physical sample testing spectrum (NMR) of 3-Bromo-6-(trifluoromethyl)-1H-indazole