structure of 3,4-Dibromo-6-(trifluoromethyl)-1H-indazole

3,4-Dibromo-6-(trifluoromethyl)-1H-indazole

CAS No.: 1000342-43-7
M. Wt: 343.926
M. Fa: C8H3Br2F3N2
InChI Key: DBUKZFRFMRMFJO-UHFFFAOYSA-N

Names and Identifiers of 1000342-43-7

CAS Number

1000342-43-7

IUPAC Name

3,4-dibromo-6-(trifluoromethyl)-2H-indazole

InChI

InChI=1S/C8H3Br2F3N2/c9-4-1-3(8(11,12)13)2-5-6(4)7(10)15-14-5/h1-2H,(H,14,15)

InChIKey

DBUKZFRFMRMFJO-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C2=C(NN=C21)Br)Br)C(F)(F)F

Physical and chemical properties of 1000342-43-7

Boiling Point

364.8±37.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

341.861481

Flash Point

174.4±26.5 °C

Index of Refraction

1.626

LogP

3.93

Molecular Formula

C8H3Br2F3N2

Molecular Weight

343.926

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Applications of 1000342-43-7

3,4-Dibromo-6-(trifluoromethyl)-1H-indazole finds applications in various fields:

  • Pharmaceutical Development: Its derivatives are explored for potential use in drug formulations targeting bacterial infections and cancer therapies.
  • Material Science: Due to its unique properties, it may be used in developing new materials with specific electronic or optical characteristics.
  • Agricultural Chemistry: Investigated for use in agrochemicals due to its potential biological activity against pests and pathogens.

Interaction Studies of 1000342-43-7

Interaction studies involving 3,4-dibromo-6-(trifluoromethyl)-1H-indazole focus on its binding affinity with various biological targets:

  • Protein Binding: Studies assess how well the compound binds to proteins involved in metabolic pathways.
  • Enzyme Inhibition: Research investigates its role as an inhibitor of specific enzymes, particularly cytochrome P450 enzymes involved in drug metabolism.

These studies are crucial for understanding the pharmacokinetics and potential therapeutic applications of the compound.