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

ALDRICH/469548 - 98%

Synonym: PTA; Pivaloyltrifluoroacetone

CAS Number: 22767-90-4
Empirical Formula (Hill Notation): C₈H₁₁F₃O₂
Molecular Weight: 196.17
EC Number: 245-211-0
MDL Number: MFCD00040841
Linear Formula: (CH₃)₃CCOCH₂COCF₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-469548-5ML	5 mL	$141.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

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

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.
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.
Packaging:	5 mL in glass bottle

Symbol	GHS02
Signal word	Warning
Hazard statements	H226
Risk Statements	10
Safety Statements	16
RIDADR	UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point(F)	105.8 °F - closed cup
Flash Point(C)	41 °C - closed cup

Purity	98%
bp	138-141 °C (lit.)
Density	1.129 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.407 (lit.)
UNSPSC	12352100

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