Description

Ethyl 4,4,4-Trifluorobutyrate (CAS No. 371-26-6) is a high-purity fluorinated ester with the molecular formula C₆H₉F₃O₂ and IUPAC name ethyl 4,4,4-trifluorobutanoate. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its trifluoromethyl group, which imparts unique reactivity and stability. Our product is rigorously tested to ensure >98% purity (GC), making it ideal for precision applications such as fluorinated intermediate synthesis, agrochemical development, and advanced polymer formulations. Packaged under inert gas to maintain stability, this compound is available in quantities ranging from grams to kilograms, with custom bulk options available upon request. Suitable for use in HPLC, NMR, and other analytical techniques.

Properties

• CAS Number: 371-26-6
• Complexity: 130
• IUPAC Name: ethyl 4,4,4-trifluorobutanoate
• InChI: InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3
• InChI Key: PSRZMXNNQTWAGB-UHFFFAOYSA-N
• Exact Mass: 170.05546401
• Molecular Formula: C6H9F3O2
• Molecular Weight: 170.13
• SMILES: CCOC(=O)CCC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 170.05546401
• Synonyms: Ethyl 4,4,4-trifluorobutyrate, 371-26-6, DTXSID80369824, DTXCID90320860, 625-023-9, psrzmxnnqtwagb-uhfffaoysa-n, ethyl 4,4,4-trifluorobutanoate, MFCD00041398, 4,4,4-trifluoro-butyric acid ethyl ester, Butanoic acid, 4,4,4-trifluoro-, ethyl ester, 4,4,4-Trifluorobutyric Acid Ethyl Ester, SCHEMBL196812, ethyl4,4,4-trifluorobutanoate, SCHEMBL3123595, ethyl 3-trifluoromethylpropionate, CS-B0243, SBB088368, AKOS005063305, AS-10276, Ethyl 4,4,4-trifluorobutyrate, >=98%, SY050003, DB-001374, E0830, F21312

Application

Ethyl 4,4,4-Trifluorobutyrate serves as a key building block in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its trifluoromethyl group enhances 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 utility in nucleophilic substitution reactions and as a precursor for trifluoromethylated heterocycles.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (86.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (86.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.8%): 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (86.7%)
• Acute Tox. 4 (86.7%)
• Skin Irrit. 2 (13.3%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (86.7%)
• STOT SE 3 (97.8%)

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