Description

4,4,4-Trifluorocrotonate Acid is a specialized fluorinated organic acid building block with the CAS registry number 406-94-0. This compound is valued for its unique trifluoromethyl group, which imparts significant electronic and steric properties, making it a critical intermediate in advanced synthetic chemistry. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for constructing complex molecules with enhanced metabolic stability and bioavailability.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring fluorinated motifs to modulate potency and pharmacokinetics.
• Agrochemical Synthesis: Used in the production of advanced herbicides and pesticides, where the trifluoromethyl group contributes to biological activity and environmental persistence.
• Material Science Research: Serves as a monomer or precursor for developing fluorinated polymers and specialty materials with unique surface properties.
• Organic Synthesis Building Block: Employed in cross-coupling reactions, Michael additions, and other C-C bond-forming reactions to introduce the valuable CF3 group.
• Ligand and Catalyst Development: Useful for creating novel fluorinated ligands for metal complexes used in catalysis.
• Fluorine Chemistry Research: A standard reagent in academic and industrial labs focused on exploring new methodologies in organofluorine chemistry.

Basic Information

Product Name	4,4,4-Trifluorocrotonate Acid
CAS No.	406-94-0
Molecular Formula	C4H3F3O2
Molecular Weight	140.06 g/mol
Synonyms	4,4,4-Trifluorocrotonic Acid; 4,4,4-Trifluorobut-2-enoic Acid; (E)-4,4,4-Trifluorobut-2-enoic Acid; 2-Butenoic Acid, 4,4,4-trifluoro-; Trifluorocrotonic Acid; 4,4,4-Trifluoro-2-butenoic Acid; NSC 40694; 406-94-0
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluorocrotonate Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and titration methods, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, assay, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature and properties as a strong acid/organic solvent, the container must be kept tightly sealed to exclude moisture and stored separately from bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.