22767-90-4

Basic information

• Product Name: 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE
• Synonyms: 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE;1,1,1-TRIFLUORO-5,5-DIMETHYLHEXANE-2,4-DIONE;AKOS MSC-0325;AKOS B016259;5,5-DIMETHYL-1,1,1-TRIFLUORO-2,4-HEXANEDIONE;ART-CHEM-BB B016259;1,1,1-trifluoro-5,5-dimethyl-4-hexanedione;TIMTEC-BB SBB003587
• CAS NO: 22767-90-4
• Molecular Formula: C₈H₁₁F₃O₂
• Molecular Weight: 196.17
• EINECS: 245-211-0
• Product Categories: Bioactive Small Molecules;Building Blocks;C7 to C8;Carbonyl Compounds;Cell Biology;Chemical Synthesis;Ketones;Organic Building Blocks;T
• Mol File: 22767-90-4.mol

Chemical Properties

• Boiling Point: 138-141 °C(lit.)
• Flash Point: 105 °F
• Appearance: clear colorless to yellow liquid
• Density: 1.129 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.806mmHg at 25°C
• Refractive Index: n20/D 1.407(lit.)
• Storage Temp.: Flammables area
• PKA: 6.78±0.10(Predicted)
• BRN: 1708830
• CAS DataBase Reference: 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE(22767-90-4)
• EPA Substance Registry System: 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE(22767-90-4)

Safety Data

• Hazard Codes: C,F
• Statements: 10
• Safety Statements: 16
• RIDADR: UN 1224 3/PG 3
• WGK Germany: 3
• TSCA: T
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 22767-90-4(Hazardous Substances Data)

Usage

Description

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone that forms Er(3+) complexes, exhibiting thermally activated slow relaxation of magnetization under a zero direct-current (DC) field. It is a clear colorless to yellow liquid and is utilized in various chemical syntheses and applications.

Uses

Used in Chemical Synthesis:
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione is used as a key intermediate in the synthesis of various compounds, including NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It is also used in the synthesis of octahedral Werner-type cobalt(II) complexes, contributing to the development of new materials and compounds with potential applications in various industries.
Used in Material Science:
In the field of material science, 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione is used as a precursor for the preparation of D2-TFDMHD. 1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE is created by mixing TFDMHD with D2O, which can be further utilized in the development of advanced materials with specific properties, such as enhanced stability or reactivity.
Used in Research and Development:
TFDMHD is also employed in research and development, particularly in the study of its Er(3+) complexes and their thermally activated slow relaxation of magnetization. This research can lead to a better understanding of the underlying mechanisms and potential applications in areas such as magnetic materials, sensors, and data storage technologies.

InChI:InChI=1/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4,12H,1-3H3/b5-4-