Chemical Identity
Molecular Formula
C16H11F2NO2
Molecular Weight
287.26 g/mol
Exact Mass
287.075785
PubChem CID
23391208
IUPAC Name
(4-cyano-3,5-difluorophenyl) 4-ethylbenzoate
SMILES String
CCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1
Names & Synonyms
External Identifiers
Catalog Overview
4-Cyano-3,5-difluorophenyl 4-ethylbenzoate is an organic compound characterized by a 4-ethylbenzoate ester linked to a 4-cyano-3,5-difluorophenyl moiety. With a molecular formula of C16H11F2NO2 and a molecular weight of 287. 26, this compound features both fluorine atoms and a cyano group on the phenyl ring, which can impart specific electronic and steric properties. Its 'druglike_bioactive_like' classification suggests potential utility in drug discovery research, chemical synthesis, or as a building block for more complex molecules.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
4-Cyano-3,5-difluorophenyl 4-ethylbenzoate is an organic compound characterized by a 4-ethylbenzoate ester linked to a 4-cyano-3,5-difluorophenyl moiety. With a molecular formula of C16H11F2NO2 and a molecular weight of 287.26, this compound features both fluorine atoms and a cyano group on the phenyl ring, which can impart specific electronic and steric properties. Its 'druglike_bioactive_like' classification suggests potential utility in drug discovery research, chemical synthesis, or as a building block for more complex molecules. Researchers may explore its use in structure-activity relationship studies, as a synthetic intermediate, or in the development of novel materials where fluorinated aromatic systems are advantageous. This compound is intended for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
105.0 °C
Boiling Point
361.0 °C
Density
1.32 g/cm³
Water Solubility
Insoluble
Flash Point
208.1 °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. 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.
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.