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1,1,1,3,3,3-Hexafluoropropan-2-yl acetate

CAS 6919-79-5Formula C5H4F6O2MW 210.07PubChem 15805097

1,1,1,3,3,3-Hexafluoropropan-2-yl acetate is a fluorinated organic compound featuring an acetate ester group and two trifluoromethyl groups. It is primarily used in research as a building block or reagent in organic synthesis.

Loading RDKit molecule structure...
InChIKey: LMZHCMDKZAJNJS-UHFFFAOYSA-NC5H4F6O2 | MW 210.07

Chemical Identity

Molecular Formula

C5H4F6O2

Molecular Weight

210.07 g/mol

Exact Mass

210.011548

PubChem CID

15805097

SMILES String

CC(=O)OC(C(F)(F)F)C(F)(F)F

Names & Synonyms

JYWDFMIPOIWWDZ-UHFFFAOYSA-NLMZHCMDKZAJNJS-UHFFFAOYSA-N
External Identifiers
SCHEMBL4382071SCHEMBL4382076

Catalog Overview

1,1,1,3,3,3-Hexafluoropropan-2-yl acetate, with CAS 6919-79-5 and molecular formula C5H4F6O2, is a fluorinated organic compound. This compound is characterized by its hexafluoroisopropyl moiety and an acetate functional group. Its unique structure, incorporating multiple fluorine atoms, makes it a valuable intermediate in the synthesis of various fluorinated compounds, which are often sought after in pharmaceutical, agrochemical, and materials science research due to their altered physicochemical properties. It serves as a versatile reagent in organic synthesis for research-use applications.

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

Colorless liquid

Physical State

Liquid

Melting Point

-20.0 °C

Boiling Point

115.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

35.0 °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 1,1,1,3,3,3-Hexafluoropropan-2-yl acetate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, chemical-resistant gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of vapors. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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