Description

1,1,1-Trifluorobutan-2-one (CAS No. 381-88-4) is a high-purity fluorinated ketone compound with the molecular formula C₄H₅F₃O. This specialty chemical is widely utilized in advanced research and industrial applications due to its unique trifluoromethyl group, which imparts exceptional reactivity and stability. Ideal for use as a building block in organic synthesis, pharmaceuticals, and agrochemicals, this product is rigorously tested to ensure >95% purity, meeting the stringent demands of researchers and scientists. Each batch is accompanied by comprehensive analytical data, including GC-MS, NMR, and HPLC reports, ensuring traceability and consistency. Available in secure, chemically resistant packaging with customizable quantities to suit laboratory-scale or bulk requirements.

Properties

• CAS Number: 381-88-4
• Complexity: 93.9
• IUPAC Name: 1,1,1-trifluorobutan-2-one
• InChI: InChI=1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3
• InChI Key: QBVHMPFSDVNFAY-UHFFFAOYSA-N
• Exact Mass: 126.02924926
• Molecular Formula: C4H5F3O
• Molecular Weight: 126.08
• SMILES: CCC(=O)C(F)(F)F
• Topological: 17.1
• Monoisotopic Mass: 126.02924926
• Synonyms: 1,1,1-trifluorobutan-2-one, DTXSID10959050, DTXCID801386942, 628-325-9, 1,1,1-Trifluoro-2-butanone, 381-88-4, 2-Butanone, 1,1,1-trifluoro-, 1,1,1-trifluorobutane-2-one, ethyl trifluoromethyl ketone, NSC-42602, DU2S3EQD9U, Ethyl Trifluoromethyl Ketone; NSC 42602, NSC42602, MFCD00190641, trifluoro-2-butanone, trifluoromethylethylketone, UNII-DU2S3EQD9U, trifluoromethyl ethyl ketone, 1,1-Trifluoro-2-butanone, 2-Butanone,1,1-trifluoro-, SCHEMBL458908, SCHEMBL595757, SCHEMBL595758, ULCVUBGAIDUPFF-UHFFFAOYSA-N, BBL102238, STL556037, 1,1,1-Trifluoro-2-butanone, 95%, AKOS005063654, AB89679, FS-3838, DB-011812, EN300-119804, F17335

1,1,1-Trifluorobutan-2-one serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its trifluoromethyl group enhances metabolic stability, making it valuable in drug discovery. Researchers also employ it as a precursor for advanced materials and specialty solvents. In organic chemistry, it acts as a key reagent for introducing fluorine atoms into target molecules. Suitable for use under inert conditions due to its sensitivity to moisture and air.

Safety and Hazards

GHS Hazard Statements

• H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.9%): 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. 2 (97.9%)
• Skin Irrit. 2 (14.9%)
• Eye Irrit. 2A (14.9%)
• STOT SE 3 (14.9%)

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