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

CAS 1087798-29-5Formula C10H9BrF3NO2MW 312.08PubChem 39871540

This compound is a trifluoroethyl carbamate derivative featuring a brominated and methylated phenyl group. It is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry and drug discovery research.

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

Chemical Identity

Molecular Formula

C10H9BrF3NO2

Molecular Weight

312.08 g/mol

Exact Mass

310.97688

PubChem CID

39871540

SMILES String

Cc1cc(Br)ccc1NC(=O)OCC(F)(F)F

Names & Synonyms

2,2,2-trifluoroethyl 4-bromo-2-methylphenylcarbamate2,2,2-Trifluoroethyl (4-bromo-2-methylphenyl)carbamate2,2,2-trifluoroethylN-(4-bromo-2-methylphenyl)carbamate
External Identifiers
DTXSID301200054MTB79829AKOS005875052CS-0263622EN300-88430

Catalog Overview

2,2,2-trifluoroethyl N-(4-bromo-2-methylphenyl)carbamate is an organic compound with the molecular formula C10H9BrF3NO2 and a molecular weight of 312. 08 g/mol. It incorporates a trifluoroethyl group linked via a carbamate functionality to a 4-bromo-2-methylphenyl moiety. The presence of bromine, fluorine, and nitrogen atoms, along with the carbamate linkage, contributes to its chemical properties and potential reactivity.

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 N-(4-bromo-2-methylphenyl)carbamate is an organic compound with the molecular formula C10H9BrF3NO2 and a molecular weight of 312.08 g/mol. It incorporates a trifluoroethyl group linked via a carbamate functionality to a 4-bromo-2-methylphenyl moiety. The presence of bromine, fluorine, and nitrogen atoms, along with the carbamate linkage, contributes to its chemical properties and potential reactivity. This compound belongs to the class of carbamates, which are often explored in pharmaceutical and agrochemical research due to their diverse biological activities. Its "druglike_bioactive_like" classification indicates structural features commonly found in biologically active molecules.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

280.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

164.9 °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-bromo-2-methylphenyl)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. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.