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

CAS 1087788-66-6Formula C10H9BrF3NO2MW 312.08PubChem 39871445

2,2,2-trifluoroethyl N-(2-bromo-4-methylphenyl)carbamate is a research-use chemical with the molecular formula C10H9BrF3NO2 and CAS 1087788-66-6. This compound features a trifluoroethyl carbamate moiety linked to a bromo- and methyl-substituted phenyl ring, making it of interest in synthetic organic chemistry and medicinal chemistry research.

Loading RDKit molecule structure...
InChIKey: XDBYVTLOSMTJGC-UHFFFAOYSA-NC10H9BrF3NO2 | MW 312.08

Chemical Identity

Molecular Formula

C10H9BrF3NO2

Molecular Weight

312.08 g/mol

Exact Mass

310.97688

PubChem CID

39871445

SMILES String

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

Names & Synonyms

2,2,2-trifluoroethyl 2-bromo-4-methylphenylcarbamateC10H9BrF3NO2G392532,2,2-trifluoroethylN-(2-bromo-4-methylphenyl)carbamateZ381542166
External Identifiers
MTB78866AKOS009102049CS-0263583EN300-88282

Catalog Overview

2,2,2-trifluoroethyl N-(2-bromo-4-methylphenyl)carbamate, identified by CAS number 1087788-66-6, is an organic compound characterized by its molecular formula C10H9BrF3NO2 and a molecular weight of 312.08. Structurally, it combines a 2,2,2-trifluoroethyl carbamate group with a 2-bromo-4-methylphenyl moiety. This chemical is primarily intended for Research Use Only (RUO) applications, serving as a building block or intermediate in the synthesis of more complex molecules, particularly within pharmaceutical and agrochemical research due to its 'druglike_bioactive_like' structural characteristics.

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 powder

Physical State

solid

Melting Point

95.0 °C

Boiling Point

330.0 °C

Density

1.4 g/cm³

Water Solubility

insoluble

Flash Point

180.0 °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-bromo-4-methylphenyl)carbamate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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