Description

3,4,4-Trifluorobut-3-en-1-ol (CAS No. 97168-13-3) is a high-purity fluorinated organic compound with the molecular formula C₄H₅F₃O. This specialty chemical is designed for advanced research and industrial applications, offering exceptional reactivity due to its trifluorinated alkene and hydroxyl functional groups. Its IUPAC name, 3,4,4-trifluorobut-3-en-1-ol, reflects its precise molecular structure, ensuring clarity for synthetic chemists and material scientists. Available in rigorously controlled batches (≥95% purity by GC), it is ideal for organofluorine synthesis, pharmaceutical intermediates, and agrochemical development. Packaged under inert gas to ensure stability, this product includes detailed analytical certificates (GC/MS, NMR) for quality assurance. Synonyms include DTXSID40472025 and DTXCID60422840.

Properties

• CAS Number: 97168-13-3
• Complexity: 95.5
• IUPAC Name: 3,4,4-trifluorobut-3-en-1-ol
• InChI: InChI=1S/C4H5F3O/c5-3(1-2-8)4(6)7/h8H,1-2H2
• InChI Key: PCYKQGRAPGQQCB-UHFFFAOYSA-N
• Exact Mass: 126.02924926
• Molecular Formula: C4H5F3O
• Molecular Weight: 126.08
• SMILES: C(CO)C(=C(F)F)F
• Topological: 20.2
• Monoisotopic Mass: 126.02924926
• Synonyms: 97168-13-3, 3,4,4-trifluorobut-3-en-1-ol, DTXSID40472025, DTXCID60422840, 692-024-9, 1,1,2-Trifluorobut-1-en-4-ol, 3-Buten-1-ol, 3,4,4-trifluoro-, 3,4,4-trifluoro-3-buten-1-ol, MFCD07784254, 3-Buten-1-ol,3,4,4-trifluoro-, 3,4,4-trifluorobut-3-enol, SCHEMBL4696009, SCHEMBL7021501, UHRWJNSLJFKLNW-UHFFFAOYSA-N, BBL103762, SBB085624, STL557572, AKOS006345729, MS-20696, DB-228435, F97815, EN300-7587563

Application

3,4,4-Trifluorobut-3-en-1-ol serves as a versatile building block in fluorinated compound synthesis, particularly for pharmaceuticals and agrochemicals. Its reactive alkene and hydroxyl groups enable facile derivatization for drug candidate libraries. Researchers also leverage its fluorinated backbone to modulate lipophilicity in bioactive molecules. In material science, it acts as a precursor for fluoropolymers with tailored surface properties.

Safety and Hazards

GHS Hazard Statements

• H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (66.7%): 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 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.