Chemical Identity
Molecular Formula
C9H6F4O3
Molecular Weight
238.14 g/mol
Exact Mass
238.025307
PubChem CID
151408328
SMILES String
COc1c(C(F)(F)F)ccc(C(=O)O)c1F
Names & Synonyms
External Identifiers
Catalog Overview
2-Fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid, identified by CAS Number 2387102-13-6 and PubChem CID 151408328, is an organic compound with the molecular formula C9H6F4O3 and a molecular weight of 238. 14 g/mol. This compound features a benzoic acid core substituted with a fluorine atom at position 2, a methoxy group at position 3, and a trifluoromethyl group at position 4. This specific arrangement of electron-withdrawing and electron-donating groups contributes to its distinct chemical properties and reactivity.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-Fluoro-3-methoxy-4-(trifluoromethyl)benzoic acid, identified by CAS Number 2387102-13-6 and PubChem CID 151408328, is an organic compound with the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. This compound features a benzoic acid core substituted with a fluorine atom at position 2, a methoxy group at position 3, and a trifluoromethyl group at position 4. This specific arrangement of electron-withdrawing and electron-donating groups contributes to its distinct chemical properties and reactivity. As a functionalized intermediate, it is primarily utilized in synthetic organic chemistry for the construction of more complex molecules, often serving as a building block in the synthesis of novel compounds with potential biological or material science applications. Its trifluoromethyl and fluoro substituents are particularly relevant for modifying physicochemical properties like lipophilicity and metabolic stability in drug discovery research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
195.0 °C
Boiling Point
320.0 °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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. 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.