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2,2,2-trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate

CAS 1087798-35-3Formula C10H9ClF3NO2MW 267.63PubChem 39871564

2,2,2-Trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate is a synthetic organic compound featuring a trifluoroethyl ester and a chloro-methylphenyl carbamate moiety. It is primarily utilized in research and development as a chemical building block or intermediate, particularly in medicinal chemistry and drug discovery programs due to its 'research-oriented' structural characteristics.

Loading RDKit molecule structure...
InChIKey: PHPOLDBUJVXQHY-UHFFFAOYSA-NC10H9ClF3NO2 | MW 267.63

Chemical Identity

Molecular Formula

C10H9ClF3NO2

Molecular Weight

267.63 g/mol

Exact Mass

267.027391

PubChem CID

39871564

SMILES String

Cc1ccc(NC(=O)OCC(F)(F)F)c(Cl)c1

Names & Synonyms

2,2,2-trifluoroethyl 2-chloro-4-methylphenylcarbamateG392942,2,2-Trifluoroethyl (2-chloro-4-methylphenyl)carbamate2,2,2-trifluoroethylN-(2-chloro-4-methylphenyl)carbamateCarbamic acid, N-(2-chloro-4-methylphenyl)-, 2,2,2-trifluoroethyl ester
External Identifiers
DTXSID901151544MTB79835AKOS005825134EN300-88441

Catalog Overview

2,2,2-Trifluoroethyl N-(2-chloro-4-methylphenyl)carbamate, identified by CAS 1087798-35-3, is a carbamate derivative with the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its structure incorporates a 2,2,2-trifluoroethyl group linked via an ester to a carbamate, which is further attached to a 2-chloro-4-methylphenyl moiety. This compound is classified as 'druglike_bioactive_like' and is intended for Research Use Only (RUO) applications, serving as a versatile intermediate in complex organic synthesis and pharmaceutical research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

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

284.0 °C

Density

1.37 g/cm³

Water Solubility

Slightly soluble

Flash Point

169.0 °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-(2-chloro-4-methylphenyl)carbamate with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place, away from incompatible materials. Dispose of waste according to local regulations for chemical waste.

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