Chemical Identity
Molecular Formula
C9H6F4O2S
Molecular Weight
254.2 g/mol
Exact Mass
254.002463
PubChem CID
177691795
IUPAC Name
4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)benzoic acid
SMILES String
CSc1cc(C(=O)O)cc(C(F)(F)F)c1F
External Identifiers
Catalog Overview
4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid, with CAS 2901101-99-1 and molecular formula C9H6F4O2S, is an organic compound featuring a highly substituted benzene ring. The structure includes a carboxylic acid group, a fluorine atom, a methylthio group, and a trifluoromethyl group. This combination of functional groups makes it a versatile building block in synthetic chemistry, particularly for the creation of novel fluorinated compounds. Its unique structural features may lend it to applications in medicinal chemistry, agrochemical research, or materials science, where fluorinated aromatic systems are often desired for...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid, with CAS 2901101-99-1 and molecular formula C9H6F4O2S, is an organic compound featuring a highly substituted benzene ring. The structure includes a carboxylic acid group, a fluorine atom, a methylthio group, and a trifluoromethyl group. This combination of functional groups makes it a versatile building block in synthetic chemistry, particularly for the creation of novel fluorinated compounds. Its unique structural features may lend it to applications in medicinal chemistry, agrochemical research, or materials science, where fluorinated aromatic systems are often desired for their specific electronic and steric properties.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
370.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
200.0 °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 4-Fluoro-3-(methylthio)-5-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency 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 products and analog discovery will be available as catalog graph data is expanded.