1. Product Overview
2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 1240970-70-0) is a benzene-1,2-disubstituted derivative bearing an ortho-chloro and para-trifluoromethyl group relative to the aldehyde functionality. It is supplied as a white to light yellow crystalline solid or low-melting solid and is widely used as a key electrophilic intermediate in the synthesis of trifluoromethyl-containing heterocycles, Schiff bases, and pharmaceutical active ingredients (particularly kinase inhibitor scaffolds). Each lot is accompanied by a CoA including HPLC assay, ¹H NMR, and LC-MS verification.
2. Key Features and Advantages
• High Purity: ≥98.0% (HPLC), suitable for sensitive cross-coupling and condensation steps
• Fully Characterized: Confirmed by ¹H NMR, ¹⁹F NMR, and LC-MS; CoA provided per batch
• Versatile Reactivity: Aldehyde group for imine/Schiff base formation, reduction (→ benzyl alcohol), oxidation (→ carboxylic acid); ortho-Cl for nucleophilic aromatic substitution or Pd-catalyzed cross-coupling; CF₃ group imparts strong electron-withdrawing effect and modulates lipophilicity/metabolic stability in derived APIs
• Low Residual Impurities: Controlled residual solvents, water content, and halogenated by-products per ICH Q3 guidelines
• Flexible Packaging: Available in 100 mg / 250 mg / 500 mg / 1 g / 5 g / 10 g / 25 g; amber glass vial, N₂ flush on request
• Batch Traceability: Individually lot-numbered with retained sample for re-test
3. Main Applications
• Pharmaceutical Intermediate: Core building block for CF₃-containing heterocycles (quinazolines, benzimidazoles, indoles) in drug discovery — especially kinase inhibitors and CNS-active compounds
• Schiff Base / Ligand Synthesis: Condenses with primary amines to yield imine ligands for coordination chemistry and catalysis
• Agrochemical / Fine Chemical R&D: Intermediate for fluorinated pesticides, herbicides, and specialty aromatic compounds
• Process Chemistry: Scalable intermediate for pilot-scale API synthesis; compatible with Grignard, Wittig, and reductive amination sequences
4. Technical Specifications
5. Storage and Handling
• Recommended Storage: Store sealed in a cool, dry place (15–25 °C), protected from light. For long-term storage (>12 months), refrigerate at 2–8 °C in a desiccator. The material may partially liquefy near/above its melting point — ensure container remains tightly closed to prevent oxidation and moisture uptake.
• Stability: Stable under dry, cool conditions. The aldehyde may slowly oxidize to the corresponding carboxylic acid upon prolonged exposure to air/moisture; CF₃ and Cl substituents are stable under normal handling.
• Handling Precautions: Use in a well-ventilated area or fume hood. Wear nitrile gloves, safety goggles, and a lab coat. Avoid inhalation of dust/vapor and skin/eye contact.
• Reconstitution (if needed): Dissolve in dry DCM, THF, or DMSO; prepare fresh solutions when possible to minimize aldehyde oxidation.
• Shelf Life: 24 months from date of manufacture when stored as recommended.
6. Safety Overview
• GHS Classification: GHS07 – Warning
• H-Statements: H302 – Harmful if swallowed; H315 – Causes skin irritation; H319 – Causes serious eye irritation; H335 – May cause respiratory irritation
• P-Statements: P261 – Avoid breathing dust/vapor; P264 – Wash hands after handling; P270 – Do not eat/drink/smoke when using; P280 – Wear protective gloves/eye/face protection; P305+P351+P338 – IF IN EYES: rinse cautiously with water; P501 – Dispose of contents/container per local regulations
• First Aid:
• Skin: Remove contaminated clothing, wash with plenty of soap and water. Seek medical attention if irritation persists.
• Eyes: Rinse immediately with flowing water ≥15 min; seek medical advice.
• Inhalation: Move to fresh air; if breathing difficulty occurs, seek medical help.
• Ingestion: Rinse mouth; do NOT induce vomiting. Seek medical advice.
• Transport: Not classified as dangerous goods for transport (non-hazardous per IMDG/IATA/DOT).
• Disposal: Dispose as halogenated organic chemical waste in compliance with local and national regulations.
