Description

Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS No. 25597-16-4) is a high-purity fluorinated ester with the molecular formula C₆H₇F₃O₂. This compound is widely recognized for its role as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group enhances reactivity and stability, making it valuable for researchers exploring fluorinated compounds. Available in various packaging options, our product is rigorously tested to ensure >98% purity (GC) and is supplied with comprehensive analytical documentation including NMR, HPLC, and MS spectra for quality assurance. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 25597-16-4
• Complexity: 160
• IUPAC Name: ethyl (E)-4,4,4-trifluorobut-2-enoate
• InChI: InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
• InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N
• Exact Mass: 168.03981395
• Molecular Formula: C6H7F3O2
• Molecular Weight: 168.11
• SMILES: CCOC(=O)/C=C/C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 168.03981395
• Synonyms: ethyl (2E)-4,4,4-trifluorobut-2-enoate, Ethyl (2E)-4,4,4-trifluoro-2-butenoate, DTXSID701282600, DTXCID101713027, 607-752-4, Ethyl 4,4,4-trifluorocrotonate, 25597-16-4, ethyl 4,4,4-trifluorobut-2-enoate, ethyl (E)-4,4,4-trifluorobut-2-enoate, 406-10-0, 4,4,4-Trifluorocrotonic Acid Ethyl Ester, (E)-ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE, ETHYL TRANS-4,4,4-TRIFLUOROCROTONATE, MFCD00009903, NSC374114, 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-, ethyl trifluorocrotonate, SCHEMBL195983, Ethyl-4,4,4-triflurocrotonate, ethyl-4,4,4-trifluorocrotonate, ethyl4,4,4-trifluoro-crotonate, ZKRJCMKLCDWROR-ONEGZZNKSA-, ethyl 4, 4,4-trifluorocrotonate, ethyl 4,4,4-trifluoro-crotonate, CS-B1754, SBB088135, ethyl (E)-4,4,4-trifluorocrotonate, AKOS005063525, trans-Ethyl 4,4,4-trifluorocrotonate, ethyl 4,4,4-trifluoro-(E)-butenoate, NSC-374114, Ethyl 4,4,4-trifluorocrotonate, 98%, AS-30104, Ethyl 4,4,4-trifluoro-trans-2-butenoate, DB-290104, E0772, NS00127233, ST51038109, EN300-51154, Ethyl (2E)-4,4,4-trifluoro-2-butenoate #, EN300-305520, F8881-7852, InChI=1/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+

Ethyl (2E)-4,4,4-trifluoro-2-butenoate is primarily used as a building block in the synthesis of fluorinated organic compounds. It serves as a key intermediate in pharmaceutical research for developing trifluoromethyl-containing drug candidates. Additionally, it finds applications in agrochemical formulations to enhance the bioactivity of pesticides and herbicides. Its reactivity in Michael addition and coupling reactions makes it valuable for material science applications.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• 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+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (17%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (97.9%)

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