MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid

CAS 45048-36-0Formula C5H4F6O2MW 210.07PubChem 2736186

This is a highly fluorinated carboxylic acid, specifically 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid, also known as hexafluoropivalic acid. It is a functionalized intermediate primarily used in organic synthesis, particularly for introducing trifluoromethyl groups or as a building block in the development of novel fluorinated compounds for research applications.

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

Chemical Identity

Molecular Formula

C5H4F6O2

Molecular Weight

210.07 g/mol

Exact Mass

210.011548

PubChem CID

2736186

SMILES String

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

Names & Synonyms

692-033-82,2-Bis(trifluoromethyl)propionic acidPropanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-hexafluoropivalic acid2,2-Bis(trifluoromethyl)propanoic acid
Show all synonyms
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoicAcidPropanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-?
External Identifiers
RefChem:485064MFCD00236083SCHEMBL105343DTXSID90371190SBB094287AKOS007929969DB-019605EN300-6479143

Catalog Overview

3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid, with CAS number 45048-36-0 and molecular formula C5H4F6O2, is a highly fluorinated organic acid. It features two trifluoromethyl groups and a methyl group attached to the alpha-carbon of a propanoic acid backbone. This structural motif makes it a valuable reagent in synthetic chemistry, especially for the preparation of fluorinated pharmaceuticals, agrochemicals, and materials. Its strong electron-withdrawing trifluoromethyl groups can influence the acidity and reactivity of the carboxylic acid, making it a unique building block for various research applications requiring...

Use Context

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

3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid, with CAS number 45048-36-0 and molecular formula C5H4F6O2, is a highly fluorinated organic acid. It features two trifluoromethyl groups and a methyl group attached to the alpha-carbon of a propanoic acid backbone. This structural motif makes it a valuable reagent in synthetic chemistry, especially for the preparation of fluorinated pharmaceuticals, agrochemicals, and materials. Its strong electron-withdrawing trifluoromethyl groups can influence the acidity and reactivity of the carboxylic acid, making it a unique building block for various research applications requiring fluorinated functionalities. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless liquid

Physical State

Liquid

Melting Point

-3.0 °C

Boiling Point

170.0 °C

Density

1.55 g/cm³

Water Solubility

Soluble

Flash Point

28.9 °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 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Avoid inhalation of dust or vapors, and prevent skin and eye contact. In case of contact, rinse immediately with plenty of water and seek medical advice. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This compound is for Research Use Only.

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.