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2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate

CAS 1087797-92-9Formula C12H14F3NO2MW 261.24PubChem 39871401

2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate is a fluorinated carbamate derivative with the formula C12H14F3NO2. This compound is suitable for research and development purposes, particularly in synthetic organic chemistry and medicinal chemistry, due to its 'druglike_bioactive_like' structural characteristics.

Loading RDKit molecule structure...
InChIKey: UYRORKQILIDXHF-UHFFFAOYSA-NC12H14F3NO2 | MW 261.24

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

39871401

IUPAC Name

2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate

SMILES String

CC(C)c1ccccc1NC(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl 2-isopropylphenylcarbamateG392832,2,2-trifluoroethylN-[2-(propan-2-yl)phenyl]carbamateZ381542228
External Identifiers
CHEMBL4950565MTB79792AKOS009102255CS-0263574EN300-88258

Catalog Overview

2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate is an organic chemical compound with the molecular formula C12H14F3NO2 and a molecular weight of 261. 24 g/mol. It features a trifluoroethyl ester and an N-substituted 2-isopropylphenyl group, classifying it as a carbamate derivative. This compound is primarily intended for research and development applications, potentially serving as a synthetic intermediate or a building block in the synthesis of more complex molecules.

Use Context

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Read more catalog context

2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate is an organic chemical compound with the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. It features a trifluoroethyl ester and an N-substituted 2-isopropylphenyl group, classifying it as a carbamate derivative. This compound is primarily intended for research and development applications, potentially serving as a synthetic intermediate or a building block in the synthesis of more complex molecules. Its structural characteristics place it within a 'druglike_bioactive_like' category, suggesting its relevance in medicinal chemistry and drug discovery research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White solid

Physical State

Solid

Melting Point

85.0 °C

Boiling Point

300.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

175.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE), including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure adequate ventilation or use a fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of accidental exposure, rinse affected areas thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry, and well-ventilated area, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling this chemical.

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