1. Product Overview
4,4-Dinitro-2,2-diphenic acid, identified by CAS number 20246-81-5, is a high-value aromatic intermediate featuring a rigid biphenyl core. With the molecular formula C14H8N2O8 and a molecular weight of 332.22, this compound possesses two electron-withdrawing nitro groups and two carboxylic acid functional groups positioned ortho to the biaryl bond. It typically presents as an off-white powder, exhibiting a sharp melting point range of 258 to 259 degrees Celsius. It is sparingly soluble in water but exhibits good solubility in polar aprotic solvents such as DMSO and DMF. Supplied at a minimum purity of 97 percent, it serves as a critical precursor in the synthesis of advanced materials, particularly for OLED technologies and pharmaceutical research, where its structural integrity and reactive sites facilitate complex molecular architectures.
2. Key Features and Advantages
• High Purity Grade: Guaranteed minimum assay of 97 percent ensures reliable and reproducible results in sensitive organic synthesis and material science applications.
• Distinctive Morphology: Supplied as a free-flowing off-white powder, facilitating accurate weighing and ease of handling in laboratory and industrial settings.
• Versatile Reactivity: The presence of both nitro and carboxyl groups allows for sequential chemical modifications, including reductions, esterifications, and amidations.
• Structural Rigidity: The planar biphenyl structure promotes pi-pi stacking and charge transport properties, essential for high-performance optoelectronic devices.
• Thermal Stability: Defined melting point and solid-state stability make it suitable for high-temperature polymerization processes and vacuum deposition techniques.
• Consistent Quality: Each batch is accompanied by a Certificate of Analysis (CoA) detailing HPLC, NMR, and physical characteristics for full traceability.
3. Main Applications
• OLED Intermediates: Used in the synthesis of hole-transporting materials (HTL) and host materials. The dinitro scaffold can be reduced to a diamine and further functionalized to create bipolar charge transport molecules or Thermally Activated Delayed Fluorescence (TADF) emitters.
• Pharmaceutical Synthesis: Serves as a building block for Active Pharmaceutical Ingredients (APIs). The biphenyl moiety is a common pharmacophore in drug discovery, particularly for cardiovascular and anti-inflammatory agents.
• Polymer Chemistry: Essential for producing high-performance polyimides and polyamides. Reduction of the nitro groups yields a tetra-functional monomer used to enhance the thermal and mechanical properties of specialty plastics.
• MOF and COF Linkers: Functions as a rigid organic linker in the construction of Metal-Organic Frameworks (MOFs) and Covalent Organic Frameworks (COFs) for gas storage, separation, and catalysis.
• Research and Development: Widely utilized in academic and industrial labs for studying nitro-aromatic reactivity, conjugation effects, and the development of novel conjugated microporous polymers (CMPs).
4. Technical Specifications
5. Storage and Handling
Store in a tightly sealed container in a cool, dry, and well-ventilated area. Protect from moisture, direct sunlight, and extreme temperatures. While stable at room temperature, it is recommended to store the product in a desiccator to prevent moisture absorption. Avoid contact with strong oxidizing agents, strong reducing agents, and strong bases to prevent hazardous reactions. Handle in a certified fume hood to avoid inhalation of dust or vapors. Personnel should wear appropriate personal protective equipment (PPE), including safety goggles, nitrile gloves, and a laboratory coat. Wash hands thoroughly after handling. Ensure containers are properly labeled and dispose of waste in accordance with local environmental regulations for nitro-aromatic compounds.
6. Safety Overview
This substance is classified as an irritant. Potential hazards include skin and eye irritation, and respiratory tract irritation if dust is inhaled. In case of contact with eyes, rinse immediately with plenty of water for at least 15 minutes and seek medical advice. If on skin, wash with soap and water. If inhaled, move the person to fresh air. Ingestion may cause gastrointestinal discomfort; rinse mouth and consult a physician if symptoms persist. Although not highly volatile, good ventilation is required to minimize exposure. The compound contains nitro groups; therefore, it should not be subjected to high temperatures or powerful reducing agents to avoid potential decomposition or exothermic reactions. Dispose of contents and container in accordance with local, regional, and national regulations for organic chemical waste. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information prior to use.
