structure of 3-Bromo-6-methyl-5-nitro-1H-indazole

3-Bromo-6-methyl-5-nitro-1H-indazole

CAS No.: 1000343-58-7
M. Wt: 256.056
M. Fa: C8H6BrN3O2
InChI Key: GIOGUISZUYCHAK-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 3-Bromo-6-methyl-5-nitro-1H-indazole

CAS Number

1000343-58-7

MDL Number

MFCD09026989

IUPAC Name

3-bromo-6-methyl-5-nitro-2H-indazole

InChI

InChI=1S/C8H6BrN3O2/c1-4-2-6-5(8(9)11-10-6)3-7(4)12(13)14/h2-3H,1H3,(H,10,11)

InChIKey

GIOGUISZUYCHAK-UHFFFAOYSA-N

Canonical SMILES

CC1=CC2=NNC(=C2C=C1[N+](=O)[O-])Br

UNSPSC Code

12352100

Physical and chemical properties of 3-Bromo-6-methyl-5-nitro-1H-indazole

Acidity coefficient

10.00±0.40(Predicted)

Boiling Point

433.0±40.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

254.964325

Flash Point

215.7±27.3 °C

H Bond Acceptors

3

H Bond Donors

1

Index of Refraction

1.731

LogP

3.56

Molecular Formula

C8H6BrN3O2

Molecular Weight

256.056

PSA

74.50000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 3-Bromo-6-methyl-5-nitro-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-methyl-5-nitro-1H-indazole

3-Bromo-6-methyl-5-nitro-1H-indazole has potential applications in:

  • Pharmaceutical Development: As a lead compound for developing new drugs targeting bacterial infections or cancer.
  • Chemical Research: In synthetic organic chemistry as an intermediate for creating more complex molecules.
  • Material Science: Due to its unique properties, it may find applications in developing new materials with specific electronic or optical characteristics.

Interaction Studies of 3-Bromo-6-methyl-5-nitro-1H-indazole

Interaction studies involving 3-Bromo-6-methyl-5-nitro-1H-indazole focus on its binding affinity with various biological targets. Preliminary research suggests that it may interact with specific enzymes or receptors, affecting their activity. These interactions could be pivotal in understanding its mechanism of action and therapeutic potential.

Retrosynthesis analysis of 3-Bromo-6-methyl-5-nitro-1H-indazole

  • Route#1

    Cas:81115-43-7
    Cas:1000343-58-7