For chemists and material scientists, a deep understanding of a chemical compound's structure and properties is fundamental to its effective application. Bis(3-nitrophenyl) Sulfone (CAS 1228-53-1) is a compound of significant interest, particularly due to its role as a key intermediate in synthesizing advanced polymers and specialty chemicals. As a leading supplier, we aim to provide clarity on its molecular architecture, key physical attributes, and the advanced characterization methods employed to ensure its quality.

Structural Insights: The Molecular Blueprint

Bis(3-nitrophenyl) Sulfone is a diaryl sulfone characterized by two phenyl rings, each substituted with a nitro group at the meta (3-) position, linked by a sulfonyl (–SO₂–) group. The molecule's three-dimensional structure, elucidated through techniques like single-crystal X-ray diffraction, reveals several important features:

  • Conformation: The molecule adopts a non-planar, bent conformation. The two phenyl rings are not coplanar; rather, they are twisted relative to each other with a significant dihedral angle (approximately 40.10° between the planes of the benzene rings).
  • Intramolecular Hydrogen Bonding: A key stabilizing feature observed in its solid-state structure is an intramolecular C–H···O hydrogen bond. This interaction forms a five-membered ring, involving a hydrogen atom from one phenyl ring and an oxygen atom of the sulfonyl group, contributing to the molecule's conformational rigidity.

Physicochemical Properties: Defining its Behavior

The inherent structure of Bis(3-nitrophenyl) Sulfone dictates its physical and chemical properties, making it suitable for specific applications:

  • Appearance: Typically observed as a white to off-white powder.
  • Melting Point: Reported values often range from 252-255°C, indicating a relatively high thermal stability in its solid form.
  • Molecular Weight: Approximately 308.27 g/mol.
  • Solubility: Generally exhibits limited solubility in common organic solvents, often requiring more polar solvents like DMSO or DMF, which is a consideration for reaction design.
  • Reactivity: The electron-withdrawing nitro groups activate the aromatic rings for nucleophilic substitution reactions and can be reduced to amino groups, enabling further chemical transformations.

Advanced Characterization for Quality Assurance

To guarantee the quality and purity of Bis(3-nitrophenyl) Sulfone, manufacturers employ a suite of advanced analytical techniques:

  • X-ray Diffraction (XRD): Provides definitive information about the crystal structure, including bond lengths, bond angles, molecular conformation, and intermolecular interactions.
  • Nuclear Magnetic Resonance (NMR) Spectroscopy: ¹H and ¹³C NMR spectroscopy are crucial for confirming the molecular structure and assessing purity by identifying specific proton and carbon environments and detecting any structural isomers or impurities.
  • Infrared (IR) Spectroscopy: Characteristic absorption bands for the sulfonyl (S=O) and nitro (NO₂) groups serve as fingerprints for the molecule and can indicate the presence of impurities.
  • High-Performance Liquid Chromatography (HPLC): The primary method for quantifying purity and identifying any related substances or isomers, ensuring that the product meets stringent specifications.

Your Trusted Source for Quality Chemicals

Understanding the structural and chemical nuances of Bis(3-nitrophenyl) Sulfone is key to its effective utilization. As a reliable manufacturer and supplier, we are committed to providing products that meet the highest standards, supported by rigorous analytical data. We encourage researchers and procurement professionals to contact us for detailed specifications and quotes. Secure your supply of quality Bis(3-nitrophenyl) Sulfone from a partner dedicated to chemical excellence.