Chemical Identity
Molecular Formula
C10H5F6NO
Molecular Weight
269.14 g/mol
Exact Mass
269.027533
PubChem CID
57364458
SMILES String
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C#N
External Identifiers
Catalog Overview
2-Methoxy-4,6-bis(trifluoromethyl)benzonitrile is an organic compound characterized by a benzonitrile core substituted with a methoxy group at position 2 and two trifluoromethyl groups at positions 4 and 6. The presence of multiple fluorine atoms, particularly in trifluoromethyl groups, often enhances chemical stability, lipophilicity, and modulates electronic properties, making such compounds valuable in drug discovery and materials science. Its nitrile functionality and aromatic ring provide versatile sites for further chemical modifications, making it a useful building block in complex organic synthesis.
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
Clear, colorless to pale yellow liquid
Physical State
Liquid
Melting Point
5.0 °C
Boiling Point
196.0 °C
Density
1.37 g/cm³
Water Solubility
Slightly soluble
Flash Point
65.4 °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-Methoxy-4,6-bis(trifluoromethyl)benzonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or a chemical fume hood to avoid inhalation. Prevent skin and eye contact, and do not ingest. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and proper disposal procedures.
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.