Chemical Identity
Molecular Formula
C11H10F4O3
Molecular Weight
266.19 g/mol
Exact Mass
266.056607
PubChem CID
177691277
IUPAC Name
5-fluoro-2-propan-2-yloxy-3-(trifluoromethyl)benzoic acid
SMILES String
CC(C)Oc1c(C(=O)O)cc(F)cc1C(F)(F)F
External Identifiers
Catalog Overview
5-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid is an organic compound featuring a benzoic acid core. The benzene ring is substituted with a fluorine atom at position 5, an isopropoxy group at position 2, and a trifluoromethyl group at position 3. This combination of functional groups makes it a versatile intermediate in the synthesis of complex organic molecules, particularly those with potential pharmaceutical or agrochemical relevance. Its 'druglike_bioactive_like' structural classification suggests its utility in medicinal chemistry research.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
300.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
180.0 °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 5-Fluoro-2-isopropoxy-3-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.