Chemical Identity
Molecular Formula
C9H6ClF3O3
Molecular Weight
254.59 g/mol
Exact Mass
253.995756
PubChem CID
164895410
SMILES String
COc1cc(C(=O)O)c(C(F)(F)F)cc1Cl
Names & Synonyms
External Identifiers
Catalog Overview
4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254. 59 g/mol. It features a benzoic acid core substituted with a chlorine atom at position 4, a methoxy group at position 5, and a trifluoromethyl group at position 2. This chemical structure places it within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, particularly as a building block or intermediate for synthesizing more complex molecules.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Chloro-5-methoxy-2-(trifluoromethyl)benzoic acid is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. It features a benzoic acid core substituted with a chlorine atom at position 4, a methoxy group at position 5, and a trifluoromethyl group at position 2. This chemical structure places it within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, particularly as a building block or intermediate for synthesizing more complex molecules. Its precise arrangement of halogen and oxygen-containing functional groups may contribute to specific chemical reactivities or biological interactions, making it a valuable tool for structure-activity relationship studies and the exploration of novel chemical entities in academic and industrial research settings.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white crystalline powder
Physical State
solid
Melting Point
165.0 °C
Boiling Point
400.0 °C
Density
1.5 g/cm³
Water Solubility
sparingly soluble
Flash Point
280.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.