Chemical Identity
Molecular Formula
C10H6F5NO
Molecular Weight
251.15 g/mol
Exact Mass
251.036955
PubChem CID
18677638
SMILES String
CC(F)(F)c1ccc(OC(F)(F)F)c(C#N)c1
Names & Synonyms
External Identifiers
Catalog Overview
This compound, 5-(1,1-Difluoroethyl)-2-(trifluoromethoxy)benzonitrile, is a synthetic organic chemical featuring a benzonitrile scaffold. It incorporates a 1,1-difluoroethyl group and a trifluoromethoxy group, both known for their influence on physicochemical properties such as lipophilicity and metabolic stability in medicinal chemistry contexts. Its unique fluorination pattern and nitrile functionality make it a valuable building block for advanced organic synthesis and drug discovery research.
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
Colorless liquid
Physical State
Liquid
Melting Point
5.0 °C
Boiling Point
220.0 °C
Density
1.4 g/cm³
Water Solubility
Insoluble
Flash Point
95.0 °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 5-(1,1-Difluoroethyl)-2-(trifluoromethoxy)benzonitrile with appropriate personal protective equipment, 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. 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.
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.