Chemical Identity
Molecular Formula
C12H14F3NO2
Molecular Weight
261.24 g/mol
Exact Mass
261.097663
PubChem CID
39871529
IUPAC Name
2,2,2-trifluoroethyl N-ethyl-N-(2-methylphenyl)carbamate
SMILES String
CCN(C(=O)OCC(F)(F)F)c1ccccc1C
Names & Synonyms
External Identifiers
Catalog Overview
2,2,2-Trifluoroethyl ethyl(2-methylphenyl)carbamate, identified by CAS 1087788-88-2, is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261. 24 g/mol. It features a carbamate functional group, where the nitrogen atom is substituted with an ethyl group and a 2-methylphenyl group, and the oxygen atom is linked to a 2,2,2-trifluoroethyl moiety. This structure places it within the "druglike_bioactive_like" chemical space, suggesting its potential utility in medicinal chemistry research, drug discovery, or as a synthetic intermediate 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
2,2,2-Trifluoroethyl ethyl(2-methylphenyl)carbamate, identified by CAS 1087788-88-2, is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. It features a carbamate functional group, where the nitrogen atom is substituted with an ethyl group and a 2-methylphenyl group, and the oxygen atom is linked to a 2,2,2-trifluoroethyl moiety. This structure places it within the "druglike_bioactive_like" chemical space, suggesting its potential utility in medicinal chemistry research, drug discovery, or as a synthetic intermediate for more complex molecules. The trifluoroethyl group is known to impart specific physicochemical properties, such as increased lipophilicity and metabolic stability, which can be advantageous in pharmaceutical development.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
Clear, colorless to pale yellow liquid
Physical State
Liquid
Melting Point
5.0 °C
Boiling Point
265.0 °C
Density
1.25 g/cm³
Water Solubility
Slightly soluble
Flash Point
120.0 °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 ethyl(2-methylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment (PPE), 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 immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and emergency procedures before use. Store in a cool, dry place, away from incompatible materials. This product is for research use only and not for human or animal therapeutic or diagnostic use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.