For professionals in the chemical industry, a thorough understanding of a compound's properties is fundamental to its safe and effective use. 3,5-Dinitrobenzotrifluoride (CAS 401-99-0) is no exception. This article delves into the essential physical and chemical characteristics of this intermediate, along with crucial handling and storage recommendations for procurement managers and R&D scientists.

Physical and Chemical Properties of 3,5-Dinitrobenzotrifluoride

3,5-Dinitrobenzotrifluoride, identified by its CAS number 401-99-0, is known for its distinctive appearance and chemical behavior. Key properties include:

  • Appearance: It is typically described as a dark yellow crystalline substance. Some sources also mention a light yellow crystalline powder or off-white to faint yellow crystalline powder, indicating slight variations in morphology.
  • Purity: The standard assay for this intermediate is usually ≥98.0%, with some suppliers offering ≥99.0%. High purity is critical for its intended applications in synthesis.
  • Molecular Formula: C7H3F3N2O4.
  • Molecular Weight: Approximately 236.11 g/mol.
  • Melting Point: Reported values vary, with some sources indicating 50-52°C and others suggesting 47-50°C or 127-129°C (at 9 mmHg). The first range is more typical for a solid at room temperature.
  • Flash Point: Around 102.6°C, indicating it is combustible.
  • Density: Estimated around 1.6588 g/cm³ or 1.61 g/cm³.
  • Solubility: Information on solubility in common solvents is often provided in detailed technical data sheets, which are essential for planning synthesis reactions.

Hazard and Safety Information

Given its chemical structure with nitro groups, 3,5-Dinitrobenzotrifluoride is considered a hazardous substance. Safety data sheets (SDS) are indispensable for detailed hazard information. Commonly noted hazard codes include Xi (Irritant), and hazard statements may involve skin irritation (H315), eye irritation (H319), and respiratory irritation (H335). Signal words like 'Warning' are often used.

Safe Handling and Storage Guidelines

For any industrial or laboratory user, adhering to safety protocols when handling 3,5-Dinitrobenzotrifluoride (CAS 401-99-0) is paramount:

  • Personal Protective Equipment (PPE): Always use appropriate PPE, including chemical-resistant gloves, safety goggles, and lab coats. In areas with potential dust or vapor, respiratory protection may be necessary.
  • Ventilation: Handle the compound in a well-ventilated area or under a fume hood to minimize exposure to airborne particles or vapors.
  • Storage Conditions: Store the chemical in a cool, dry place, away from incompatible materials, direct sunlight, and heat sources. Keep containers tightly closed to prevent contamination and moisture ingress.
  • Incompatibilities: Avoid contact with strong oxidizing agents, strong reducing agents, and strong bases, as these can lead to potentially hazardous reactions.
  • Spill Management: Have appropriate spill containment and cleanup materials readily available. Follow proper disposal procedures as per local regulations.

Procurement for Reliable Supply

When looking to buy 3,5-Dinitrobenzotrifluoride (CAS 401-99-0), sourcing from reputable manufacturers and suppliers in China ensures access to up-to-date safety data and quality assurances. Always request the Material Safety Data Sheet (MSDS) from your supplier before handling the product.

By understanding and respecting the properties and safety requirements of 3,5-Dinitrobenzotrifluoride, chemical professionals can ensure its safe and effective use as a valuable intermediate in various synthesis applications.