structure of 4-Bromo-6-(trifluoromethyl)-1H-indazole

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

CAS No.: 1000342-95-9
M. Wt: 265.030
M. Fa: C8H4BrF3N2
InChI Key: JRUCLQINUHVRJW-UHFFFAOYSA-N
Appearance: Pale-brown Solid

Names and Identifiers of 4-Bromo-6-(trifluoromethyl)-1H-indazole

CAS Number

1000342-95-9

MDL Number

MFCD09026956

IUPAC Name

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

InChI

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

InChIKey

JRUCLQINUHVRJW-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C2=C1NN=C2)Br)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 4-Bromo-6-(trifluoromethyl)-1H-indazole

Acidity coefficient

10.94±0.40(Predicted)

Boiling Point

309.2±37.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

263.950989

Flash Point

140.8±26.5 °C

Index of Refraction

1.596

LogP

2.86

Molecular Formula

C8H4BrF3N2

Molecular Weight

265.030

PSA

28.68000

Storage condition

Keep in dark place,Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 4-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 4-Bromo-6-(trifluoromethyl)-1H-indazole

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

  • Medicinal Chemistry: It serves as a precursor for synthesizing various pharmacologically active compounds, including potential anticancer agents.
  • Biological Studies: The compound is used in enzyme inhibition studies and receptor binding assays due to its unique structure.
  • Material Science: Research is ongoing into its potential use in developing novel materials with specific electronic and optical properties.

Biological Activity of 4-Bromo-6-(trifluoromethyl)-1H-indazole

The biological activity of 4-Bromo-6-(trifluoromethyl)-1H-indazole is noteworthy, particularly in the context of enzyme inhibition and receptor binding studies. Research suggests that this compound may exhibit anticancer properties, making it a candidate for further investigation in cancer therapeutics. Additionally, its structural characteristics allow for potential antimicrobial applications, although specific studies are needed to elucidate these effects fully.

Physical sample testing spectrum (NMR) of 4-Bromo-6-(trifluoromethyl)-1H-indazole

Physical sample testing spectrum (NMR) of 4-Bromo-6-(trifluoromethyl)-1H-indazole