In the realm of chemical research and quality control, spectroscopic data plays a pivotal role in confirming the identity, purity, and structure of compounds. For 4-Fluoro-3-nitrobenzoic Acid (CAS 453-71-4), Nuclear Magnetic Resonance (NMR) spectroscopy, particularly ¹H NMR, is an indispensable tool. This article aims to demystify NMR data and highlight its importance for users sourcing this chemical intermediate.

What is NMR Spectroscopy?

NMR spectroscopy is a powerful analytical technique that exploits the magnetic properties of atomic nuclei. When a sample is placed in a strong magnetic field and subjected to radiofrequency pulses, nuclei absorb and re-emit energy at specific frequencies. These frequencies, or chemical shifts, are unique to the nucleus's chemical environment, providing detailed information about the molecule's structure, including the types of atoms present, their connectivity, and their relative positions.

Interpreting the ¹H NMR Spectrum of 4-Fluoro-3-nitrobenzoic Acid

The ¹H NMR spectrum of 4-Fluoro-3-nitrobenzoic Acid (CAS 453-71-4) provides critical fingerprinting data. Typically acquired in a solvent like DMSO-d6, the spectrum reveals distinct signals corresponding to the protons in the molecule:

  • Aromatic Protons: The spectrum will show signals in the aromatic region (typically 7-9 ppm) corresponding to the three protons on the substituted benzene ring. The coupling patterns and chemical shifts of these signals are characteristic of the substitution pattern (fluorine, nitro, and carboxylic acid groups). For instance, signals around 8.55 ppm, 8.31 ppm, and 7.71 ppm are expected, with their specific splitting patterns confirming the precise arrangement of substituents.
  • Carboxylic Acid Proton: The proton from the -COOH group usually appears as a broad singlet at a higher chemical shift (often above 12 ppm), though its precise position can vary depending on concentration and solvent.
  • Purity Assessment: The presence of unexpected signals, or deviations in the integration ratios of the expected signals, can indicate impurities. A clean spectrum with sharp, well-defined peaks, and correct integration, confirms the high purity (e.g., 99.5%min) of the 4-Fluoro-3-nitrobenzoic Acid sample.

NMR as a Quality Assurance Tool

For buyers sourcing 4-Fluoro-3-nitrobenzoic Acid, reviewing the ¹H NMR data provided by a manufacturer is a critical step in quality assurance. It serves as independent confirmation of the product's identity and purity, which is essential for critical applications like pharmaceutical synthesis. When you are looking to buy this intermediate, always request access to its NMR data and any other relevant analytical reports.

Reliable Sourcing with Verified Data

As a leading manufacturer of 4-Fluoro-3-nitrobenzoic Acid (CAS 453-71-4), we understand the importance of robust analytical data. We provide comprehensive NMR and other spectroscopic data to our clients, ensuring full transparency and confidence in product quality. If you need high-purity intermediates for your research or production, we are your trusted supplier. Contact us to obtain quotes and detailed analytical information for your next project, ensuring you receive material that meets all your stringent requirements.