Chemical Identity
Molecular Formula
C11H12F3NO2
Molecular Weight
247.21 g/mol
Exact Mass
247.082013
PubChem CID
39871411
SMILES String
Cc1cccc(NC(=O)OCC(F)(F)F)c1C
Names & Synonyms
External Identifiers
Catalog Overview
2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate, identified by CAS 1087788-57-5 and PubChem CID 39871411, is a chemical compound featuring a trifluoroethyl group and a 2,3-dimethylphenylcarbamate moiety. Its structure, represented by the SMILES string Cc1cccc(NC(=O)OCC(F)(F)F)c1C, suggests potential utility in organic synthesis, particularly in the introduction of trifluoroethyl and carbamate functionalities into target molecules. As a functionalized intermediate, it may serve as a building block for synthesizing more complex compounds in pharmaceutical, agrochemical, or materials science research. Researchers should consult...
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- Research chemical sourcing
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Read more catalog context
2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate, identified by CAS 1087788-57-5 and PubChem CID 39871411, is a chemical compound featuring a trifluoroethyl group and a 2,3-dimethylphenylcarbamate moiety. Its structure, represented by the SMILES string Cc1cccc(NC(=O)OCC(F)(F)F)c1C, suggests potential utility in organic synthesis, particularly in the introduction of trifluoroethyl and carbamate functionalities into target molecules. As a functionalized intermediate, it may serve as a building block for synthesizing more complex compounds in pharmaceutical, agrochemical, or materials science research. Researchers should consult relevant literature for specific applications and reaction conditions.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
95.0 °C
Boiling Point
300.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
155.0 °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 2,2,2-trifluoroethyl N-(2,3-dimethylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before use.
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.