Chemical Identity
Molecular Formula
C9H6F4O2S
Molecular Weight
254.2 g/mol
Exact Mass
254.002463
PubChem CID
171368303
IUPAC Name
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)benzoic acid
SMILES String
CSc1ccc(C(F)(F)F)c(C(=O)O)c1F
Names & Synonyms
External Identifiers
Catalog Overview
2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methylthio group, and a trifluoromethyl group. With a molecular formula of C9H6F4O2S and a molecular weight of 254.20 g/mol, this compound is of interest in synthetic organic chemistry and medicinal chemistry research. Its structural features, including the electron-withdrawing trifluoromethyl group and the sulfur-containing methylthio moiety, suggest potential utility as a building block for synthesizing more complex molecules or as a scaffold for exploring structure-activity...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid is an organic compound characterized by a benzoic acid core substituted with a fluorine atom, a methylthio group, and a trifluoromethyl group. With a molecular formula of C9H6F4O2S and a molecular weight of 254.20 g/mol, this compound is of interest in synthetic organic chemistry and medicinal chemistry research. Its structural features, including the electron-withdrawing trifluoromethyl group and the sulfur-containing methylthio moiety, suggest potential utility as a building block for synthesizing more complex molecules or as a scaffold for exploring structure-activity relationships in drug discovery and development. It is intended for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white crystalline solid
Physical State
solid
Melting Point
145.0 °C
Boiling Point
295.0 °C
Density
1.52 g/cm³
Water Solubility
sparingly soluble
Flash Point
170.0 °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 2-Fluoro-3-(methylthio)-6-(trifluoromethyl)benzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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 comprehensive safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
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.