structure of 4-BROMO-3-IODO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE

4-BROMO-3-IODO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE

CAS No.: 1000341-30-9
M. Wt: 390.927
M. Fa: C8H3BrF3IN2
InChI Key: IGOIJJKIDMAMMX-UHFFFAOYSA-N

Names and Identifiers of 1000341-30-9

CAS Number

1000341-30-9

MDL Number

MFCD09263231

IUPAC Name

4-bromo-3-iodo-6-(trifluoromethyl)-1H-indazole

InChI

InChI=1S/C8H3BrF3IN2/c9-4-1-3(8(10,11)12)2-5-6(4)7(13)15-14-5/h1-2H,(H,14,15)

InChIKey

IGOIJJKIDMAMMX-UHFFFAOYSA-N

Canonical SMILES

FC(F)(F)C1=CC(Br)=C2C(=C1)NN=C2I

UNSPSC Code

12352100

Physical and chemical properties of 1000341-30-9

Boiling Point

387.1±37.0 °C at 760 mmHg

Density

2.3±0.1 g/cm3

Exact Mass

389.847626

Flash Point

187.9±26.5 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.668

LogP

4.19

Molecular Formula

C8H3BrF3IN2

Molecular Weight

390.927

PSA

28.68000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000341-30-9

Pictograms

Signal Word

 Warning

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

Applications of 1000341-30-9

4-Bromo-3-iodo-6-(trifluoromethyl)-1H-indazole has several applications across different fields:

  • Medicinal Chemistry: Serves as a precursor for synthesizing various pharmacologically active compounds.
  • Biological Studies: Used to investigate enzyme inhibition and receptor interactions due to its unique structural features.
  • Material Science: Explored for potential applications in developing novel materials with specific electronic and optical properties .

Interaction Studies of 1000341-30-9

Studies on the interactions of 4-Bromo-3-iodo-6-(trifluoromethyl)-1H-indazole with biological targets have revealed insights into its mechanism of action. The trifluoromethyl group enhances lipophilicity, allowing effective interaction with biological membranes. Additionally, the halogen atoms can participate in halogen bonding, influencing binding affinity towards various proteins .

Biological Activity of 1000341-30-9

The biological activity of 4-Bromo-3-iodo-6-(trifluoromethyl)-1H-indazole has been explored in various studies, particularly for its potential as an anticancer and antimicrobial agent. Its structural features allow it to interact with biological targets effectively, making it useful in enzyme inhibition studies and receptor binding assays .