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2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate

CAS 1087798-27-3Formula C12H14F3NO2MW 261.24PubChem 39871533

This compound is a trifluoroethyl carbamate derivative featuring an isopropylphenyl moiety. It is primarily intended for research and development applications.

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

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

39871533

IUPAC Name

2,2,2-trifluoroethyl N-(4-propan-2-ylphenyl)carbamate

SMILES String

CC(C)c1ccc(NC(=O)OCC(F)(F)F)cc1

Names & Synonyms

2,2,2-trifluoroethyl 4-isopropylphenylcarbamateG392912,2,2-trifluoroethylN-[4-(propan-2-yl)phenyl]carbamate
External Identifiers
MTB79827AKOS009102215CS-0263621EN300-88426

Catalog Overview

2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261. 24 g/mol. It is characterized by a trifluoroethyl ester group linked via a carbamate to a 4-isopropylphenyl group. This chemical structure suggests potential utility in synthetic organic chemistry, particularly in the synthesis of novel compounds or as a building block in medicinal chemistry research.

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Read more catalog context

2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate is an organic compound with the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. It is characterized by a trifluoroethyl ester group linked via a carbamate to a 4-isopropylphenyl group. This chemical structure suggests potential utility in synthetic organic chemistry, particularly in the synthesis of novel compounds or as a building block in medicinal chemistry research. Its trifluoromethyl group can impart unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are often explored in drug discovery and agrochemical development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

290.0 °C

Density

1.35 g/cm³

Water Solubility

Slightly soluble

Flash Point

172.0 °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 2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]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 immediately with plenty of 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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