Chemical Identity
Molecular Formula
C11H9BrF3NO2
Molecular Weight
324.09 g/mol
Exact Mass
322.97688
PubChem CID
45830017
SMILES String
COc1cc(CC#N)cc(Br)c1OCC(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
2-[3-Bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound with the molecular formula C11H9BrF3NO2 and a molecular weight of 324. 09. It features a phenyl ring substituted with bromine, a methoxy group, and a 2,2,2-trifluoroethoxy group, along with an acetonitrile side chain. This compound belongs to the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry and drug discovery research as a building block or lead compound.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-[3-Bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic compound with the molecular formula C11H9BrF3NO2 and a molecular weight of 324.09. It features a phenyl ring substituted with bromine, a methoxy group, and a 2,2,2-trifluoroethoxy group, along with an acetonitrile side chain. This compound belongs to the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry and drug discovery research as a building block or lead compound. Its unique combination of halogen, ether, and nitrile functionalities makes it a versatile intermediate for synthesizing more complex molecules for research purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
350.0 °C
Density
1.5 g/cm³
Water Solubility
Insoluble
Flash Point
190.0 °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) in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin or eye 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. For research use only.
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.