Description

4,4,4-Trifluorobutanal hydrate (CAS No. 1448773-75-8) is a high-purity fluorinated aldehyde hydrate with the molecular formula C₄H₇F₃O₂. This specialized chemical is designed for advanced research and industrial applications, offering exceptional stability and reactivity due to its trifluoromethyl group and aldehyde functionality. Ideal for synthetic organic chemistry, pharmaceuticals, and material science, it serves as a versatile building block for the development of fluorinated compounds. Available in rigorously controlled batches, our product meets stringent quality standards with HPLC/GC-MS validation to ensure consistency and performance. Suitable for use in nucleophilic additions, reductive amination, and as a precursor for heterocyclic synthesis.

Properties

• CAS Number: 1448773-75-8
• Complexity: 75.8
• IUPAC Name: 4,4,4-trifluorobutanal;hydrate
• InChI: InChI=1S/C4H5F3O.H2O/c5-4(6,7)2-1-3-8;/h3H,1-2H2;1H2
• InChI Key: KOELFLCVNBHANI-UHFFFAOYSA-N
• Exact Mass: 144.03981395
• Molecular Formula: C4H7F3O2
• Molecular Weight: 144.09
• SMILES: C(CC(F)(F)F)C=O.O
• Topological: 18.1
• Monoisotopic Mass: 144.03981395
• Synonyms: 4,4,4-Trifluorobutanal hydrate, 1448773-75-8, 816-368-8, 4,4,4-trifluorobutanal;hydrate, 4,4,4-Trifluorobutyraldehyde hydrate, 2198245-40-6, 4,4,4-Trifluorobutanalhydrate, SCHEMBL22042655, MFCD29036691, AKOS032963161

4,4,4-Trifluorobutanal hydrate is widely used as a key intermediate in pharmaceutical research for the synthesis of fluorinated drug candidates. Its trifluoromethyl group enhances metabolic stability and bioavailability in bioactive molecules. Researchers leverage this compound in organofluorine chemistry to develop agrochemicals and advanced materials. It also finds applications in catalysis and as a ligand modifier in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.