The detection methods for 3-Methyl-6-nitro-1H-indazole.

Alias: 3-Methyl-6-nitro-1H-indazole

CAS No: 6494-19-5

Molecular Formula: C8H7N3O2

Molecular Weight: 177.16

Physical State: Solid powder

Melting Point: 187-188°C

Boiling Point: 384.9±22.0 °C (Predicted)

Density: 1.437

Applications: Used as an organic intermediate and pharmaceutical intermediate.

To ensure the quality and purity of 3-methyl-6-nitro-1H-indazole, scientific detection methods are required for comprehensive analysis. Below are several common detection methods and their specific applications:

High-Performance Liquid Chromatography (HPLC)

Principle: HPLC is a technique that separates and quantifies a mixture based on the interaction between the mobile phase and the stationary phase.

Procedure:

Prepare the sample solution: Dissolve the 3-Methyl-6-nitro-1H-indazole in an appropriate solvent.

Choose the chromatography column: A C18 reversed-phase column is most effective.

Mobile phase: A mixture of methanol and water, with the ratio adjusted as needed.

Detection wavelength: Set at 254 nm (based on the compound's maximum absorption wavelength).

Run the analysis and record retention time and peak area.

Advantages: High separation efficiency, suitable for purity analysis and impurity detection.

Nuclear Magnetic Resonance (NMR) Spectroscopy

Principle: NMR analyzes the structural information of compounds by measuring the resonance signals of atomic nuclei in a magnetic field.

Procedure:

Dissolve 3-methyl-6-nitro-1H-indazole in deuterated solvent (such as DMSO-d6 or CDCl3).

Collect data on a 400 MHz or 600 MHz NMR instrument.

Analyze the chemical shifts (δ values), coupling constants (J values), and peak shapes to confirm the structure.

Advantages: Provides detailed molecular structure information, especially suitable for determining the structure of chemical synthesis products.

Infrared (IR) Spectroscopy

Principle: IR spectroscopy detects chemical bonds and functional groups in molecules by absorbing infrared light at specific wavelengths.

Procedure:

Use ATR (Attenuated Total Reflection) mode or prepare KBr pellets.

Record the infrared absorption spectrum of the sample in the range of 4000-400 cm⁻⊃1;.

Analyze characteristic absorption peaks in the spectrum, such as the nitro group absorption peak typically found between 1350-1550 cm⁻⊃1;.

Advantages: Fast and simple, suitable for confirming functional groups.

Mass Spectrometry (MS)

Principle: Mass spectrometry determines the molecular weight and structural fragments of a compound by measuring the mass-to-charge ratio (m/z) of ions.

Procedure:

Introduce the sample into the mass spectrometer (electron ionization (EI) or electrospray ionization (ESI) methods can be used).

Analyze molecular ion peaks and fragment ion peaks to confirm the molecular weight (177.16 Da).

Combine with other analytical methods to further verify the molecular structure.

Advantages: High sensitivity, accurate determination of molecular weight and impurity components.

Melting Point Determination

Principle: The melting point range of a solid compound can be used to verify its purity.

Procedure:

Place a small amount of the sample in a capillary tube and insert it into the melting point apparatus.

Gradually heat and record the temperature at which the sample begins to melt and completely melts.

Compare with the standard melting point range to assess purity.

Advantages: Simple to operate, suitable for rapid purity screening.

Comprehensive Detection Scheme

In practical applications, it is often necessary to combine multiple methods. For example, HPLC can first be used for purity analysis, followed by NMR and IR for structure confirmation, and finally mass spectrometry for molecular weight verification. This multi-dimensional detection approach ensures the reliability and accuracy of the results.

The detection methods for 3-methyl-6-nitro-1H-indazole are diverse, with each method offering specific advantages in different application scenarios. By selecting the appropriate detection methods, product quality can be effectively ensured, and reliable data can be provided for subsequent research and development. If you are interested in related testing services, feel free to contact us anytime!