Description

1,1,5,5-Tetrafluoro-2,4-pentanedione (CAS No. 70086-62-3) is a high-purity fluorinated diketone with the molecular formula C₅H₄F₄O₂. This specialized chemical is characterized by its unique tetrafluoro substitution, which enhances its reactivity and stability in demanding applications. It is commonly utilized as a chelating agent, ligand, or intermediate in organic synthesis and coordination chemistry. The compound’s IUPAC name, 1,1,5,5-tetrafluoropentane-2,4-dione, reflects its precise structural configuration. Available in various quantities, this product is rigorously tested to meet the highest standards of purity and consistency, making it ideal for research, pharmaceuticals, and advanced material science.

Properties

• CAS Number: 70086-62-3
• Complexity: 148
• IUPAC Name: 1,1,5,5-tetrafluoropentane-2,4-dione
• InChI: InChI=1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2
• InChI Key: FTTDMWQQHZSARH-UHFFFAOYSA-N
• Exact Mass: 172.01474201
• Molecular Formula: C5H4F4O2
• Molecular Weight: 172.08
• SMILES: C(C(=O)C(F)F)C(=O)C(F)F
• Topological: 34.1
• Monoisotopic Mass: 172.01474201
• Synonyms: 1,1,5,5-Tetrafluoro-2,4-pentanedione, 810-863-2, 1,1,5,5-tetrafluoropentane-2,4-dione, 70086-62-3, 1,1,5,5-Tetrafluoroacetylacetone, MFCD03419795, 1,1,5,5-tetrafluoro-pentane-2,4-dione, SCHEMBL11517688, DTXSID20505345, ALBB-011664, BBL104323, SBB021368, STK349315, AKOS000308266, FS-4470, 2,4-pentanedione, 1,1,5,5-tetrafluoro-, CS-0095838, ST45114926, T3330, EN300-106471, T72849, 1,1,5,5-Tetrafluoro-2,4-pentanedione, AldrichCPR

Application

1,1,5,5-Tetrafluoro-2,4-pentanedione is widely employed as a versatile ligand in transition metal coordination chemistry due to its strong chelating properties. It serves as a key intermediate in the synthesis of fluorinated heterocycles and metal-organic frameworks (MOFs). Researchers also utilize it in the development of advanced materials, such as catalysts and polymers, where fluorination enhances thermal and chemical stability. Its reactivity makes it valuable in pharmaceutical research for constructing fluorinated bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (66.7%)
• Skin Corr. 1B (33.3%)
• Skin Irrit. 2 (33.3%)
• Eye Dam. 1 (33.3%)
• Eye Irrit. 2 (66.7%)
• STOT SE 3 (33.3%)

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