469548

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

98%

• Synonym(s): PTA, Pivaloyltrifluoroacetone
• Linear Formula: (CH₃)₃CCOCH₂COCF₃
• CAS Number: 22767-90-4
• Molecular Weight: 196.17
• EC Number: 245-211-0
• MDL number: MFCD00040841
• UNSPSC Code: 12352100
• PubChem Substance ID: 24870464
• NACRES: NA.22

Properties

• Assay: 98%
• refractive index: n20/D 1.407 (lit.)
• bp: 138-141 °C (lit.)
• density: 1.129 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)C(=O)CC(=O)C(F)(F)F
• InChI: 1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
• InChI key: BVPKYBMUQDZTJH-UHFFFAOYSA-N
• Gene Information: mouse ... Mtap(66902)

Description

General description

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone. It forms Er(3+) complexes. These complexes shows thermally activated slow relaxation of magnetization under a zero direct-current (DC) field.

Application

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D₂-TFDMHD, by mixing with D₂O.

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 105.8 °F - closed cup
• Flash Point(C): 41 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves