Chemical Identity
Molecular Formula
C11H8F3NO2
Molecular Weight
243.18 g/mol
Exact Mass
243.050713
PubChem CID
39871437
SMILES String
C#Cc1cccc(NC(=O)OCC(F)(F)F)c1
Names & Synonyms
External Identifiers
Catalog Overview
2,2,2-Trifluoroethyl N-(3-ethynylphenyl)carbamate, identified by CAS 1087798-02-4, is an organic compound characterized by a trifluoroethyl carbamate moiety attached to a 3-ethynylphenyl group. Its molecular formula is C11H8F3NO2 and it has a molecular weight of 243. 18 g/mol. This chemical serves as a versatile building block in synthetic chemistry, leveraging both the carbamate and ethynyl functionalities.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2,2,2-Trifluoroethyl N-(3-ethynylphenyl)carbamate, identified by CAS 1087798-02-4, is an organic compound characterized by a trifluoroethyl carbamate moiety attached to a 3-ethynylphenyl group. Its molecular formula is C11H8F3NO2 and it has a molecular weight of 243.18 g/mol. This chemical serves as a versatile building block in synthetic chemistry, leveraging both the carbamate and ethynyl functionalities. The trifluoroethyl group can influence properties such as lipophilicity and metabolic stability, while the ethynyl group provides a reactive handle for various click chemistry reactions, Sonogashira couplings, and other alkyne-based transformations. It is valuable for researchers synthesizing complex molecules, including potential pharmaceutical intermediates or materials science compounds.
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
305.0 °C
Density
1.17 g/cm³
Water Solubility
2.69 × 10⁻⁴ mol/L
Flash Point
106.9 °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 2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before use.
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Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
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