Description

4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS No. 326-06-7) is a high-purity fluorinated diketone compound with the molecular formula C₁₀H₇F₃O₂, also known by its IUPAC name 4,4,4-trifluoro-1-phenylbutane-1,3-dione. This specialized chemical is widely utilized in organic synthesis, coordination chemistry, and as a chelating agent for metal ions due to its strong electron-withdrawing trifluoromethyl group. The compound exhibits excellent stability and reactivity, making it ideal for applications in pharmaceuticals, agrochemicals, and advanced material science. Available in >98% purity, it is supplied as a crystalline solid with strict quality control to ensure consistency for research and industrial use. Synonyms include Benzoyltrifluoroacetone and 3-Benzoyl-1,1,1-trifluoroacetone.

Properties

• CAS Number: 326-06-7
• Complexity: 252
• IUPAC Name: 4,4,4-trifluoro-1-phenyl-butane-1,3-dione
• InChI: InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
• InChI Key: VVXLFFIFNVKFBD-UHFFFAOYSA-N
• Exact Mass: 216.03981395
• Molecular Formula: C10H7F3O2
• Molecular Weight: 216.16
• SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
• Topological: 34.1
• Monoisotopic Mass: 216.03981395
• Physical Description: Off-white crystalline solid; mp = 38-40 deg C;
• Synonyms: 326-06-7, 4,4,4-Trifluoro-1-phenylbutane-1,3-dione, 4,4,4-Trifluoro-1-phenyl-1,3-butanedione, Benzoyltrifluoroacetone, 3-Benzoyl-1,1,1-trifluoroacetone, 1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-, Benzoyl(trifluoroacetyl)methane, 1-Benzoyl-3,3,3-trifluoroacetone, NSC 42628, 1-Benzoyl-3,3,3-trifluoro-2-propanone, DTXSID2049268, omega-(Trifluoroacetyl)acetophenone, EINECS 206-307-8, DTXCID1029124, 1Benzoyl3,3,3trifluoroacetone, 3Benzoyl1,1,1trifluoroacetone, omega(Trifluoroacetyl)acetophenone, 1Benzoyl3,3,3trifluoro2propanone, 4,4,4-TFBP, 4,4,4Trifluoro1phenylbutane1,3dione, 1,3Butanedione, 4,4,4trifluoro1phenyl, 206-307-8, Benzoyl-1,1,1-trifluoroacetone, MFCD00000425, 4,4,4-Trifluoro-1-phenyl-butane-1,3-dione, .omega.-(Trifluoroacetyl)acetophenone, CHEMBL421036, NSC-42628, 1,1,1-Trifluoro-4-phenyl-2,4-butanedione, 1-Phenyl-4,4,4-trifluorobutane-1,3-dione, V9YSB8JR2P, SCHEMBL523476, 1-Benzoyl-3,3-trifluoroacetone, 3-Benzoyl-1,1-trifluoroacetone, HMS1765N10, 1, 4,4,4-trifluoro-1-phenyl-, NSC42628, Tox21_202821, BBL013135, BDBM50121960, SBB073223, STK400152, 1-Benzoyl-3,3-trifluoro-2-propanone, AKOS000210550, CS-W014860, NCGC00260367-01, AS-40413, CAS-326-06-7, SY021552, DB-013159, 1-Phenyl-4,4,4-trifluoro-1,3-butanedione, 4-Phenyl-1,1,1-trifluorobutane-2,4-dione, NS00041533, ST45021462, T0437, 1,1,1-trifluoro-4-phenyl-butane-2,4-dione, 1-phenyl-4,4,4-trifluoro-butane-1,3-dione, EN300-17299, SR-01000389031, 4,4,4-Trifluoro-1-phenyl-1,3-butanedione, 99%, SR-01000389031-1, Q63395499, F0348-2294

Application

4,4,4-Trifluoro-1-phenyl-1,3-butanedione is commonly employed as a ligand in transition metal complexes for catalytic and spectroscopic studies. Its strong chelating properties make it valuable in the extraction and separation of lanthanides and actinides. The compound is also used as a building block in the synthesis of fluorinated heterocycles and bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (40%)
• Acute Tox. 4 (40%)
• Skin Irrit. 2 (80%)
• Eye Irrit. 2 (80%)
• Acute Tox. 4 (40%)
• STOT SE 3 (80%)

If you are interested or have any questions, please contact us at support@atomfair.com

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