Chemical Identity
Molecular Formula
C11H9ClF3NO2
Molecular Weight
279.64 g/mol
Exact Mass
279.027391
PubChem CID
45830010
SMILES String
COc1cc(CC#N)cc(Cl)c1OCC(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
2-[3-Chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile is an organic chemical characterized by a phenylacetonitrile core substituted with a chlorine atom, a methoxy group, and a 2,2,2-trifluoroethoxy group. Its molecular formula is C11H9ClF3NO2 and it has a molecular weight of 279.64 g/mol. This compound falls into the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, drug discovery, and the synthesis of novel compounds.
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
White solid
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
310.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
160.0 °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 fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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.