Description

3,3,3-Trifluoropropyl Acetate (CAS No. 407-63-6) is a high-purity fluorinated ester with the molecular formula C₅H₇F₃O₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical intermediates, and advanced material research due to its unique trifluoromethyl group, which enhances reactivity and stability. The compound is supplied as a clear, colorless liquid with a characteristic ester-like odor, and its purity is rigorously verified via GC-MS and NMR analysis to ensure consistency for sensitive applications. Ideal for researchers requiring precise fluorinated building blocks, this product is packaged under inert conditions to maintain integrity. Store in a cool, dry place away from strong oxidizers and moisture to preserve quality.

Properties

• CAS Number: 407-63-6
• Complexity: 119
• IUPAC Name: 3,3,3-trifluoropropyl acetate
• InChI: InChI=1S/C5H7F3O2/c1-4(9)10-3-2-5(6,7)8/h2-3H2,1H3
• InChI Key: CQXTYNZVFLWLFG-UHFFFAOYSA-N
• Exact Mass: 156.03981395
• Molecular Formula: C5H7F3O2
• Molecular Weight: 156.10
• SMILES: CC(=O)OCCC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 156.03981395
• Synonyms: 1-Propanol, 3,3,3-trifluoro-, 1-acetate, 407-63-6, 3,3-trifluoropropyl acetate, CF3CH2CH2OAc, SCHEMBL124955, DTXSID401279725

Application

3,3,3-Trifluoropropyl acetate serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its trifluoromethyl group imparts metabolic stability. It is also employed in the preparation of specialty polymers and coatings, leveraging its ability to modify surface properties. Researchers value this compound for its role in nucleophilic substitution reactions and as a precursor for fluorinated alcohols.

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