Description

Ethanone, 2,2,2-Trifluoro-1-(1H-Pyrazol-4-Yl)- (9Ci) CAS NO 161957-47-7 is a high-value trifluoromethyl ketone derivative featuring a pyrazole heterocycle, making it a versatile and critical building block in advanced organic synthesis. This compound is essential for medicinal chemistry research and the development of novel active pharmaceutical ingredients (APIs), particularly due to the unique physicochemical properties imparted by the trifluoromethyl group. It is primarily sought after by R&D laboratories and fine chemical manufacturers in the pharmaceutical and agrochemical sectors for creating new molecules with enhanced metabolic stability and bioavailability.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new drug candidates, especially for kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Used in the creation of advanced pesticides and herbicides, where the trifluoromethyl group can improve compound efficacy and environmental profile.
• Material Science Research: Acts as a precursor for specialty polymers and advanced organic materials requiring specific fluorine-containing motifs.
• Ligand and Catalyst Development: Employed in the synthesis of novel ligands for catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry Building Block: A fundamental reagent for introducing the -COCF3 moiety into complex molecular architectures.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for bespoke synthesis projects.

Basic Information

Product Name	Ethanone, 2,2,2-Trifluoro-1-(1H-Pyrazol-4-Yl)- (9Ci)
CAS No.	161957-47-7
Molecular Formula	C6H3F3N2O
Molecular Weight	176.10 g/mol
Synonyms	1-(1H-Pyrazol-4-yl)-2,2,2-trifluoroethanone; 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone; 4-Acetylpyrazole, 2,2,2-trifluoro-; 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethan-1-one; 4-Trifluoroacetylpyrazole; 1-(1H-Pyrazol-4-yl)-2,2,2-trifluoroethan-1-one; TFAP; Trifluoroacetylpyrazole
EINECS	Contact for details

Quality Control

Our Ethanone, 2,2,2-Trifluoro-1-(1H-Pyrazol-4-Yl)- (9Ci) is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We provide comprehensive analytical data including HPLC, NMR, and mass spectrometry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available for every batch upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases and oxidizing agents. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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