431-37-8 | 1-Chloro-3,3,3-trifluoroacetone

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$139.00	$97.00
5g	96%	in stock	$147.00	$103.00
10g	96%	in stock	$227.00	$159.00
25g	96%	in stock	$426.00	$298.00
100g	96%	in stock	$1,249.00	$874.00

Description

• Catalog Number: AG19185
• Chemical Name: 1-Chloro-3,3,3-trifluoroacetone
• CAS Number: 431-37-8
• Molecular Formula: C3H2ClF3O
• Molecular Weight: 146.4956
• MDL Number: MFCD01631508
• SMILES: ClCC(=O)C(F)(F)F

Computed Properties

• Complexity: 97.2
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 1.7

Upstream Synthesis Route

3-Chloro-1,1,1-trifluoropropan-2-one is a versatile compound widely used in chemical synthesis due to its unique reactivity and functionality. It serves as a key building block in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both a chloro and trifluoromethyl group in its structure imparts distinct properties that are beneficial for numerous synthetic transformations.One of the primary applications of 3-Chloro-1,1,1-trifluoropropan-2-one is as a precursor for the synthesis of fluorinated organic compounds. The trifluoromethyl group is highly desirable in medicinal chemistry as it can enhance the biological activity and metabolic stability of drug candidates. By incorporating this compound into drug molecules, researchers can potentially improve their efficacy and reduce toxicity.Additionally, 3-Chloro-1,1,1-trifluoropropan-2-one is utilized in the preparation of agrochemicals to enhance their performance and environmental safety. The unique fluorinated moiety can increase the bioavailability of active ingredients in pesticides and herbicides, leading to improved efficacy against target pests while reducing the impact on non-target organisms and ecosystems.Furthermore, in the field of materials science, this compound is employed in the synthesis of specialty chemicals such as fluorinated polymers and surfactants. The presence of both chlorine and fluorine atoms enables precise control over the properties of these materials, including surface tension, hydrophobicity, and thermal stability. This makes 3-Chloro-1,1,1-trifluoropropan-2-one an indispensable reagent for designing advanced materials with tailored functionalities for various industrial applications.