MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate

CAS 1824021-63-7Formula C12H14F3NO2MW 261.24PubChem 124203294

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate is a fluorinated carbamate compound, classified within the research-oriented chemical scaffold, making it a potential candidate for various research applications in medicinal chemistry and drug discovery.

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

Chemical Identity

Molecular Formula

C12H14F3NO2

Molecular Weight

261.24 g/mol

Exact Mass

261.097663

PubChem CID

124203294

IUPAC Name

tert-butyl N-methyl-N-(3,4,5-trifluorophenyl)carbamate

SMILES String

CN(C(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

External Identifiers
starbld0014935

Catalog Overview

tert-Butyl methyl(3,4,5-trifluorophenyl)carbamate, identified by CAS 1824021-63-7, is an organic chemical featuring a tert-butyl carbamate moiety attached to an N-methyl-3,4,5-trifluorophenyl group. Its molecular formula is C12H14F3NO2 and it has a molecular weight of 261.24 g/mol. This compound's structure, characterized by the presence of three fluorine atoms on the phenyl ring and a carbamate linkage, positions it as a valuable building block or lead compound in synthetic organic chemistry and pharmaceutical research, particularly in areas exploring fluorinated analogues of bioactive molecules.

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 solid

Physical State

Solid

Melting Point

105.0 °C

Boiling Point

320.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

165.0 °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 tert-Butyl methyl(3,4,5-trifluorophenyl)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 thoroughly with water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures before use.

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.