Description

1,1,1-Trifluoro-2,4-pentanedione (CAS No. 367-57-7), also known as 1,1,1-Trifluoropentane-2,4-dione or Trifluoroacetylacetone, is a high-purity fluorinated diketone with the molecular formula C₅H₅F₃O₂. This specialized chemical is widely utilized in organic synthesis, coordination chemistry, and as a precursor for advanced materials. Its unique trifluoromethyl group enhances reactivity and stability, making it invaluable for researchers developing ligands, catalysts, and fluorinated compounds. Available in various quantities with stringent quality control, this product is ideal for laboratories requiring precise and reliable reagents for demanding applications.

Properties

• CAS Number: 367-57-7
• Complexity: 159
• IUPAC Name: 1,1,1-trifluoropentane-2,4-dione
• InChI: InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
• InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N
• Exact Mass: 154.02416388
• Molecular Formula: C5H5F3O2
• Molecular Weight: 154.09
• SMILES: CC(=O)CC(=O)C(F)(F)F
• Topological: 34.1
• Monoisotopic Mass: 154.02416388
• Physical Description: Clear liquid;
• Synonyms: 1,1,1-Trifluoro-2,4-pentanedione, 1,1,1-Trifluoropentane-2,4-dione, Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone, (Trifluoroacetyl)acetone, Acetyl trifluoroacetone, 2,4-Pentanedione, 1,1,1-trifluoro-, UNII-9N20A8G8SW, 9N20A8G8SW, 1,1,1-Trifluoro-2,4-pentadione, CF3COH=CHCOCH3, NSC 9455, NSC-9455, EINECS 206-698-5, 1,1,1-Trifluoroacetyl acetone, DTXSID3059896, 1,1,1-(TRIFLUOROACETYL)ACETONE, TRIFLUORO-2,4-PENTANEDIONE, 1,1,1-, TFAA cpd, 1,1,1Trifluoroacetylacetone, 1,1,1Trifluoropentane2,4dione, DTXCID1039218, 1,1,1-TFAA, 2,4Pentanedione, 1,1,1trifluoro, alpha,alpha,alphaTrifluoroacetylacetone, shxhpuaklccldv-uhfffaoysa-n, un1224, 367-57-7, MFCD00000427, alpha,alpha,alpha-Trifluoroacetylacetone, trifluoro-acetylacetone, trifluoroacetyl acetone, 1,1-Trifluoroacetylacetone, trifluoro-2,4-pentanedione, 2, 1,1,1-trifluoro-, SCHEMBL15160, CHEMBL106855, SCHEMBL27732519, SCHEMBL29217829, NSC9455, 1,1-Trifluoro-2,4-pentanedione, 1,1,1-trifluoro2,4-pentanedione, SBB073222, STL185695, XH1290, 1,1,1,-trifluoro-2,4-pentanedione, 1,1,1-trifluoro-2,4-pentane-dione, 1,1,1-Trifluoro-pentane-2,4-dione, AKOS004115271, 1,1,1,-trifluoro pentane-2,4-dione, CS-W016278, 1,1,1-Trifluoroacetylacetone enol form, BP-12705, MS-20661, 1,1,1-Trifluoro-2,4-pentanedione, 98%, DB-048996, NS00042166, ST50824436, T0434, EN300-19145, Q27272769, F0001-1054, Z104472948

Application

1,1,1-Trifluoro-2,4-pentanedione is extensively used as a chelating agent in the synthesis of metal-organic frameworks (MOFs) and coordination complexes due to its strong binding affinity. It serves as a key intermediate in the preparation of fluorinated pharmaceuticals and agrochemicals, leveraging its trifluoromethyl group for enhanced bioactivity. Researchers also employ it in the development of advanced materials, such as fluorine-doped polymers and coatings, to improve thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (90.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (13.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (90.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (11.8%): 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 (100%)
• Acute Tox. 4 (90.2%)
• Skin Irrit. 2 (13.7%)
• Eye Irrit. 2 (13.7%)
• Acute Tox. 4 (90.2%)
• STOT SE 3 (11.8%)

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